A0A077Z9D5_TRITR Loading...

BZIP 2 and Sas10 Utp3 domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z9D5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 278 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M50.1Low41.3Very low246 Ų246146.5 Ų146.5100%1.21277%0.77SS**  0111.60-74.5-138.1161.800107.3
2L37.6Very low41.7Very low166 Ų166148.7 Ų148.787%0.86977%0.768SS**  trans-67.9138.4-176.5-75160.3000109.7V4L2-V4 PolarHBondContact O-N 3.3Å
3P46.5Very low41.5Very low108 Ų108146.7 Ų146.770%0.70176%0.76SS**  trans-66.3117.517826.1-30.2000108.7E5P3-E5 PolarHBondContact O-N 3.41Å
4V43.7Very low41.9Very low128 Ų128145.8 Ų145.878%0.77676%0.764SS**  trans-70.791.4168.4-178.90000106L2 L6L2-V4 PolarHBondContact O-N 3.3Å; V4-L6 VanDerWaalsContact C-N 3.26Å; V4-L6 PolarHBondContact O-N 3.32Å
5E40.1Very low42Very low143 Ų143149.3 Ų149.367%0.66876%0.762SS**  trans-61.595.9164.3-71.1-129151.100107.2P3 F7P3-E5 PolarHBondContact O-N 3.41Å; E5-F7 HydrophobicContact CB-CD2 4.19Å; E5-F7 HydrophobicContact CB-CE2 4.09Å; E5-F7 PolarHBondContact O-N 3.36Å
6L40.4Very low42.5Very low145 Ų145144.9 Ų144.976%0.75975%0.747SS**  trans-63.988.1163.4-82.4160.3000106.5V4 L8V4-L6 VanDerWaalsContact C-N 3.26Å; V4-L6 PolarHBondContact O-N 3.32Å; L6-L8 HydrophobicContact CB-CD1 4.4Å; L6-L8 PolarHBondContact O-N 3.37Å
7F38.7Very low43.3Very low161 Ų161144.5 Ų144.571%0.70675%0.752SS**  trans-57.389.9161.1-83.4-90.2000107E5 N9E5-F7 HydrophobicContact CB-CD2 4.19Å; E5-F7 HydrophobicContact CB-CE2 4.09Å; E5-F7 PolarHBondContact O-N 3.36Å; F7-N9 PolarHBondContact O-N 3Å
8L40Very low43.5Very low133 Ų133144.7 Ų144.770%0.69675%0.754SS**  trans-63.689.4160.3-101.181.2000105.6L6 H10L6-L8 HydrophobicContact CB-CD1 4.4Å; L6-L8 PolarHBondContact O-N 3.37Å; L8-H10 PolarHBondContact O-N 3.46Å
9N39.3Very low43.7Very low140 Ų140141.4 Ų141.475%0.74975%0.75SS**  trans-52.898.4158.9-72.1-30.5000106F7 S11F7-N9 PolarHBondContact O-N 3Å; N9-S11 PolarHBondContact O-N 3.38Å
10H40.6Very low43.8Very low150 Ų150140 Ų14069%0.69475%0.749SS**  trans-65.474165.8-98.875.3000106.7L8 K12L8-H10 PolarHBondContact O-N 3.46Å; H10-K12 HydrophobicContact CB-CG 4.47Å; H10-K12 PolarHBondContact O-N 2.96Å
11S37.2Very low43.7Very low91 Ų91143.7 Ų143.764%0.63676%0.759SS**  trans-7381.7168.4-1570000106.1N9 D13N9-S11 PolarHBondContact O-N 3.38Å; S11-D13 PolarHBondContact O-N 2.95Å
12K46Very low43.5Very low173 Ų173136.4 Ų136.475%0.75273%0.732SS**  trans-73.153.1175.8-68.8-176178.2179.40110H10H10-K12 HydrophobicContact CB-CG 4.47Å; H10-K12 PolarHBondContact O-N 2.96Å
13D40Very low43.7Very low123 Ų123134.5 Ų134.566%0.65873%0.733SS**  trans-154.139.1175.6-84.7-44.3000111.1S11 R15S11-D13 PolarHBondContact O-N 2.95Å; D13-R15 PolarHBondContact O-N 3.45Å
14V47.1Very low43.6Very low134 Ų134134.2 Ų134.281%0.81273%0.734SS**  trans-76.186.1163.1-175.50000107.5
15R42.8Very low43.6Very low198 Ų198133.6 Ų133.675%0.74774%0.742SS**  trans-66129.9170.9-64.8-175-167.8-140.91108.8D13 V17D13-R15 PolarHBondContact O-N 3.45Å; R15-V17 PolarHBondContact O-N 2.87Å
16P50.8Low43.8Very low80 Ų80131.7 Ų131.752%0.51975%0.75SS.*  trans-66.9123.1-179.325.5-32.3000110.3N18 W34P16-N18 PolarHBondContact O-N 3.42Å; P16-N18 VanDerWaalsContact O-N 3.09Å; P16-W34 HydrophobicContact CG-CH2 4.02Å; P16-W34 HydrophobicContact CG-CZ3 3.89Å
17V55.6Low44Very low138 Ų138130 Ų13084%0.83675%0.751SS**SBendtrans-66.5-9.4-174.5174.50000113.6R15R15-V17 PolarHBondContact O-N 2.87Å
18N46.7Very low44Very low147 Ų147128.3 Ų128.379%0.78676%0.758SS**  trans-120.367.9-175-63.2-24.2000111.6P16 P20P16-N18 PolarHBondContact O-N 3.42Å; P16-N18 VanDerWaalsContact O-N 3.09Å; N18-P20 WeakPolarHBondContact O-CD 3.44Å
19A46.8Very low44.2Very low82 Ų82131.1 Ų131.168%0.67877%0.767SS**  trans-80.5117.9164.800000109.2K21A19-K21 PolarHBondContact O-N 2.93Å
20P47Very low44.8Very low113 Ų113135.2 Ų135.273%0.73477%0.772SS**  trans-68.3121.5-176.725.1-31.8000111.1N18 S22N18-P20 WeakPolarHBondContact O-CD 3.44Å; P20-S22 VanDerWaalsContact C-N 3.33Å; P20-S22 PolarHBondContact O-N 3Å
21K41.7Very low45.3Very low219 Ų219140 Ų14095%0.95278%0.784SS**  trans-70.586.6168.7-63.5178.3-177177.40108.5A19A19-K21 PolarHBondContact O-N 2.93Å
22S45.3Very low45.9Very low93 Ų93140.5 Ų140.565%0.6579%0.786SS**  trans-114.2108.3170.558.40000110.1P20 S24P20-S22 VanDerWaalsContact C-N 3.33Å; P20-S22 PolarHBondContact O-N 3Å; S22-S24 PolarHBondContact O-N 3.2Å; S22-S24 VanDerWaalsContact O-N 3.08Å
23S42.7Very low46.4Very low125 Ų125136.9 Ų136.987%0.87478%0.775SS**  trans-67.990.4168.149.60000109.5
24S44.4Very low47.2Very low103 Ų103139.4 Ų139.472%0.7278%0.775SS**  trans-163.173154.854.90000108.8S22 A26S22-S24 PolarHBondContact O-N 3.2Å; S22-S24 VanDerWaalsContact O-N 3.08Å; S24-A26 VanDerWaalsContact C-N 3.26Å; S24-A26 PolarHBondContact O-N 3.29Å; S24-A26 VanDerWaalsContact O-N 3.08Å
25A42.7Very low47.6Very low115 Ų115140 Ų14095%0.9577%0.773SS**THydrogen-bonded Turntrans-8130.3-167.400000115.3
26A44.8Very low48.5Very low102 Ų102133.8 Ų133.884%0.84376%0.755SS**THydrogen-bonded Turntrans-118.47-168.700000117.2S24S24-A26 VanDerWaalsContact C-N 3.26Å; S24-A26 PolarHBondContact O-N 3.29Å; S24-A26 VanDerWaalsContact O-N 3.08Å
27S44.6Very low49.3Very low110 Ų110133.9 Ų133.977%0.76976%0.757SS**SBendtrans-134.3-5.2178.2-175.80000117.1Q29S27-Q29 PolarHBondContact O-N 2.9Å
28C37.8Very low50.5Low126 Ų126131.4 Ų131.485%0.85174%0.739SS**  trans-96.261.8-176.5-86.50000113R30C28-R30 PolarHBondContact O-N 3.4Å
29Q44Very low52.3Low191 Ų191128.8 Ų128.889%0.89372%0.724SS**  trans-77.350.7165-15780.50.600111.1S27S27-Q29 PolarHBondContact O-N 2.9Å
30R52.8Low54.2Low227 Ų227132.1 Ų132.186%0.85772%0.719SS**SBendtrans-131.586.1161.7-73.8-167.3-133.1-148.83.3107.5C28 C32C28-R30 PolarHBondContact O-N 3.4Å; R30-C32 PolarHBondContact O-N 3.39Å
31R50.2Low55.9Low251 Ų251133 Ų13395%0.94771%0.709SS**  trans-35.5102.7169.6-175.4165.4-83.1-158.5-6.5110.2N33R31-N33 PolarHBondContact O-N 3.21Å; R31-N33 VanDerWaalsContact O-N 3.1Å
32C50.7Low58Low100 Ų100126.6 Ų126.668%0.67668%0.682SS**  trans-60.1106.9-174.4-74.30000111.3R30 W34R30-C32 PolarHBondContact O-N 3.39Å; C32-W34 VanDerWaalsContact C-N 3.32Å; C32-W34 PolarHBondContact O-N 2.95Å; C32-W34 VanDerWaalsContact O-N 3.1Å
33N56.5Low60.2Low98 Ų98126.4 Ų126.452%0.52467%0.671SS.*  trans-8477171.8-166.10000109.8R31 L35 N36 C37R31-N33 PolarHBondContact O-N 3.21Å; R31-N33 VanDerWaalsContact O-N 3.1Å; N33-L35 PolarHBondContact O-N 3.41Å; N33-N36 HydrophobicContact CB-CB 4.17Å; N33-N36 PolarHBondContact O-N 2.9Å; N33-N36 VanDerWaalsContact O-N 3.13Å; N33-C37 PolarHBondContact O-N 3.13Å
34W57.2Low62.4Low175 Ų175126.7 Ų126.766%0.66366%0.657SS**Hα-helixtrans-55.7-36.2-179.3-82.581.8000113.1P16 C32 N36 C37 D38P16-W34 HydrophobicContact CG-CH2 4.02Å; P16-W34 HydrophobicContact CG-CZ3 3.89Å; C32-W34 VanDerWaalsContact C-N 3.32Å; C32-W34 PolarHBondContact O-N 2.95Å; C32-W34 VanDerWaalsContact O-N 3.1Å; W34-N36 VanDerWaalsContact C-N 3.34Å; W34-N36 PolarHBondContact O-N 3.43Å; W34-C37 VanDerWaalsContact O-CB 3.32Å; W34-C37 WeakPolarHBondContact O-CB 3.22Å; W34-C37 PolarHBondContact O-N 2.87Å; W34-C37 VanDerWaalsContact O-N 3.15Å; W34-D38 PolarHBondContact O-N 3.23Å
35L55.2Low64.6Low147 Ų147127.7 Ų127.777%0.7765%0.645SS**Hα-helixtrans-61.7-39176.3-81.5126.1000112.7N33 C37 D38 L39N33-L35 PolarHBondContact O-N 3.41Å; L35-C37 VanDerWaalsContact C-N 3.34Å; L35-D38 PolarHBondContact O-N 3.39Å; L35-L39 PolarHBondContact O-N 3.22Å; L35-L39 VanDerWaalsContact O-N 3.07Å
36N62.3Low66.9Low68 Ų68127.5 Ų127.536%0.36462%0.624SS.*Hα-helixtrans-74.2-28.5177-156.1-48.7000111.4N33 W34 R40N33-N36 HydrophobicContact CB-CB 4.17Å; N33-N36 PolarHBondContact O-N 2.9Å; N33-N36 VanDerWaalsContact O-N 3.13Å; W34-N36 VanDerWaalsContact C-N 3.34Å; W34-N36 PolarHBondContact O-N 3.43Å; N36-R40 WeakPolarHBondContact O-CB 3.47Å; N36-R40 VanDerWaalsContact O-CG 3.26Å; N36-R40 WeakPolarHBondContact O-CG 3.43Å; N36-R40 PolarHBondContact O-N 3.4Å; N36-R40 VanDerWaalsContact O-N 3.16Å; N36-R40 PolarHBondContact OD1-NE 2.88Å; N36-R40 VanDerWaalsContact OD1-NE 3.12Å
37C67.5Low69.1Low82 Ų82129.8 Ų129.855%0.55461%0.611SS**Hα-helixtrans-65.9-42.4171.1-162.70000111.6N33 W34 L35 Y41N33-C37 PolarHBondContact O-N 3.13Å; W34-C37 VanDerWaalsContact O-CB 3.32Å; W34-C37 WeakPolarHBondContact O-CB 3.22Å; W34-C37 PolarHBondContact O-N 2.87Å; W34-C37 VanDerWaalsContact O-N 3.15Å; L35-C37 VanDerWaalsContact C-N 3.34Å; C37-Y41 WeakPolarHBondContact O-CB 3.35Å; C37-Y41 PolarHBondContact O-N 3.22Å
38D80.2Confident71.4Confident86 Ų86128.6 Ų128.646%0.4660%0.596SS.*Hα-helixtrans-67.8-43.1179-164.522000112W34 L35 R40 Y41 Q42W34-D38 PolarHBondContact O-N 3.23Å; L35-D38 PolarHBondContact O-N 3.39Å; D38-R40 PolarHBondContact O-N 3.44Å; D38-Y41 WeakPolarHBondContact O-CB 3.34Å; D38-Y41 PolarHBondContact O-N 3.41Å; D38-Y41 VanDerWaalsContact O-N 3.11Å; D38-Q42 WeakPolarHBondContact O-CG 3.48Å; D38-Q42 PolarHBondContact O-N 3.11Å; D38-Q42 PolarHBondContact OD1-NE2 2.96Å; D38-Q42 PolarHBondContact OD2-NE2 3.41Å
39L85.1Confident74Confident92 Ų92126.5 Ų126.548%0.48258%0.576SS.*Hα-helixtrans-60.5-46.9175-171.466.9000111.9L35 Y41 Q42 E43L35-L39 PolarHBondContact O-N 3.22Å; L35-L39 VanDerWaalsContact O-N 3.07Å; L39-Y41 PolarHBondContact O-N 3.13Å; L39-Q42 WeakPolarHBondContact O-CB 3.36Å; L39-Q42 PolarHBondContact O-N 3.49Å; L39-E43 WeakPolarHBondContact O-CG 3.47Å; L39-E43 PolarHBondContact O-N 2.87Å
40R84.9Confident76.4Confident152 Ų152122.6 Ų122.657%0.57456%0.558SS**Hα-helixtrans-62.5-32.5175.3-71.9-179.2-163.7-145.41.4112.6N36 D38 K44N36-R40 WeakPolarHBondContact O-CB 3.47Å; N36-R40 VanDerWaalsContact O-CG 3.26Å; N36-R40 WeakPolarHBondContact O-CG 3.43Å; N36-R40 PolarHBondContact O-N 3.4Å; N36-R40 VanDerWaalsContact O-N 3.16Å; N36-R40 PolarHBondContact OD1-NE 2.88Å; N36-R40 VanDerWaalsContact OD1-NE 3.12Å; D38-R40 PolarHBondContact O-N 3.44Å; R40-K44 VanDerWaalsContact O-CG 3.28Å; R40-K44 WeakPolarHBondContact O-CG 3.17Å; R40-K44 PolarHBondContact O-N 2.94Å
41Y84.2Confident78.4Confident131 Ų131114.1 Ų114.151%0.51454%0.537SS..Hα-helixtrans-68.9-45.5175.2176.9-101.3000110.6C37 D38 L39 K44 R45C37-Y41 WeakPolarHBondContact O-CB 3.35Å; C37-Y41 PolarHBondContact O-N 3.22Å; D38-Y41 WeakPolarHBondContact O-CB 3.34Å; D38-Y41 PolarHBondContact O-N 3.41Å; D38-Y41 VanDerWaalsContact O-N 3.11Å; L39-Y41 PolarHBondContact O-N 3.13Å; Y41-K44 WeakPolarHBondContact O-CB 3.3Å; Y41-K44 PolarHBondContact O-N 3.07Å; Y41-R45 HydrophobicContact CD1-CG 4.09Å; Y41-R45 HydrophobicContact CD2-CG 4.47Å; Y41-R45 HydrophobicContact CE1-CG 3.68Å; Y41-R45 HydrophobicContact CE2-CG 4.08Å; Y41-R45 HydrophobicContact CG-CG 4.47Å; Y41-R45 WeakPolarHBondContact O-CG 3.44Å; Y41-R45 PolarHBondContact O-N 3.48Å
42Q85.5Confident80.6Confident85 Ų85104.6 Ų104.640%0.39751%0.506SS..Hα-helixtrans-57.7-50.2176-70.6170.920.300111.3D38 L39 K44 R45 E46D38-Q42 WeakPolarHBondContact O-CG 3.48Å; D38-Q42 PolarHBondContact O-N 3.11Å; D38-Q42 PolarHBondContact OD1-NE2 2.96Å; D38-Q42 PolarHBondContact OD2-NE2 3.41Å; L39-Q42 WeakPolarHBondContact O-CB 3.36Å; L39-Q42 PolarHBondContact O-N 3.49Å; Q42-K44 VanDerWaalsContact C-N 3.29Å; Q42-K44 PolarHBondContact O-N 3.32Å; Q42-R45 CarbonylContact O-C 3.58Å; Q42-R45 WeakPolarHBondContact O-CA 3.34Å; Q42-R45 WeakPolarHBondContact O-CB 3.16Å; Q42-R45 PolarHBondContact O-N 3.37Å; Q42-E46 WeakPolarHBondContact O-CB 3.48Å; Q42-E46 WeakPolarHBondContact O-CG 3.45Å; Q42-E46 PolarHBondContact O-N 3.27Å
43E90.1Very high82.7Confident89 Ų89106.7 Ų106.742%0.41650%0.5SS..Hα-helixtrans-57.8-38.8175.7-70.2172.1177.300112.8L39 R47L39-E43 WeakPolarHBondContact O-CG 3.47Å; L39-E43 PolarHBondContact O-N 2.87Å; E43-R47 WeakPolarHBondContact O-CB 3.29Å; E43-R47 WeakPolarHBondContact O-CG 3.44Å; E43-R47 PolarHBondContact O-N 3.45Å
44K89.8Confident84.5Confident130 Ų130110 Ų11057%0.56551%0.51SS*.Hα-helixtrans-66.7-40175.1-76.9177.4-170.9-177.30111.6R40 Y41 Q42 N48R40-K44 VanDerWaalsContact O-CG 3.28Å; R40-K44 WeakPolarHBondContact O-CG 3.17Å; R40-K44 PolarHBondContact O-N 2.94Å; Y41-K44 WeakPolarHBondContact O-CB 3.3Å; Y41-K44 PolarHBondContact O-N 3.07Å; Q42-K44 VanDerWaalsContact C-N 3.29Å; Q42-K44 PolarHBondContact O-N 3.32Å; K44-N48 WeakPolarHBondContact O-CB 3.46Å; K44-N48 PolarHBondContact O-N 3.13Å
45R90.2Very high86.2Confident124 Ų124104.7 Ų104.747%0.46850%0.499SS..Hα-helixtrans-68.2-40.7177.2-67.5-64.3-68.9178.5-3.5111.1Y41 Q42 N48 N49Y41-R45 HydrophobicContact CD1-CG 4.09Å; Y41-R45 HydrophobicContact CD2-CG 4.47Å; Y41-R45 HydrophobicContact CE1-CG 3.68Å; Y41-R45 HydrophobicContact CE2-CG 4.08Å; Y41-R45 HydrophobicContact CG-CG 4.47Å; Y41-R45 WeakPolarHBondContact O-CG 3.44Å; Y41-R45 PolarHBondContact O-N 3.48Å; Q42-R45 CarbonylContact O-C 3.58Å; Q42-R45 WeakPolarHBondContact O-CA 3.34Å; Q42-R45 WeakPolarHBondContact O-CB 3.16Å; Q42-R45 PolarHBondContact O-N 3.37Å; R45-N48 PolarHBondContact O-N 2.83Å; R45-N49 WeakPolarHBondContact O-CB 3.49Å; R45-N49 PolarHBondContact O-N 3.29Å; R45-N49 PolarHBondContact O-ND2 3.07Å
46E91.5Very high88.1Confident111 Ų111105.6 Ų105.652%0.51949%0.493SS..Hα-helixtrans-60.6-51.2173.7-73.7174.8176.800111.1Q42 N48 N49 E50Q42-E46 WeakPolarHBondContact O-CB 3.48Å; Q42-E46 WeakPolarHBondContact O-CG 3.45Å; Q42-E46 PolarHBondContact O-N 3.27Å; E46-N48 VanDerWaalsContact C-N 3.29Å; E46-N48 PolarHBondContact O-N 3.01Å; E46-N49 WeakPolarHBondContact O-CB 3.35Å; E46-N49 PolarHBondContact O-N 3.47Å; E46-N49 VanDerWaalsContact O-N 3.11Å; E46-E50 WeakPolarHBondContact O-CB 3.47Å; E46-E50 WeakPolarHBondContact O-CG 3.43Å; E46-E50 PolarHBondContact O-N 3.27Å
47R91.4Very high89.7Confident150 Ų150106.5 Ų106.557%0.56650%0.495SS*.Hα-helixtrans-58.3-39.4174.9-76.6-172.3-71.7149.1-13.5112.9E43 A51E43-R47 WeakPolarHBondContact O-CB 3.29Å; E43-R47 WeakPolarHBondContact O-CG 3.44Å; E43-R47 PolarHBondContact O-N 3.45Å; R47-A51 VanDerWaalsContact O-CB 3.26Å; R47-A51 WeakPolarHBondContact O-CB 3.46Å; R47-A51 PolarHBondContact O-N 3.35Å
48N92.2Very high91Very high86 Ų86108.9 Ų108.946%0.4650%0.497SS..Hα-helixtrans-66.2-45.2175.4-173.2-89.6000111.5K44 R45 E46 E50 A51 V52K44-N48 WeakPolarHBondContact O-CB 3.46Å; K44-N48 PolarHBondContact O-N 3.13Å; R45-N48 PolarHBondContact O-N 2.83Å; E46-N48 VanDerWaalsContact C-N 3.29Å; E46-N48 PolarHBondContact O-N 3.01Å; N48-E50 VanDerWaalsContact C-N 3.33Å; N48-E50 PolarHBondContact O-N 2.97Å; N48-A51 WeakPolarHBondContact O-CB 3.37Å; N48-A51 PolarHBondContact O-N 3.45Å; N48-V52 WeakPolarHBondContact O-CB 3.45Å; N48-V52 VanDerWaalsContact O-CG2 3.26Å; N48-V52 WeakPolarHBondContact O-CG2 3.37Å; N48-V52 PolarHBondContact O-N 3.19Å
49N93.6Very high91.6Very high81 Ų81113.9 Ų113.943%0.43351%0.509SS..Hα-helixtrans-61.9-41.5177.4-71.3-22.2000111.7R45 E46 V52 R53R45-N49 WeakPolarHBondContact O-CB 3.49Å; R45-N49 PolarHBondContact O-N 3.29Å; R45-N49 PolarHBondContact O-ND2 3.07Å; E46-N49 WeakPolarHBondContact O-CB 3.35Å; E46-N49 PolarHBondContact O-N 3.47Å; E46-N49 VanDerWaalsContact O-N 3.11Å; N49-V52 PolarHBondContact O-N 2.93Å; N49-R53 WeakPolarHBondContact O-CB 3.31Å; N49-R53 PolarHBondContact O-N 3.09Å
50E93.4Very high92.1Very high110 Ų110116.3 Ų116.351%0.51451%0.512SS..Hα-helixtrans-62.6-46172.8-73.6179.4172.200111.6E46 N48 V52 R53 K54E46-E50 WeakPolarHBondContact O-CB 3.47Å; E46-E50 WeakPolarHBondContact O-CG 3.43Å; E46-E50 PolarHBondContact O-N 3.27Å; N48-E50 VanDerWaalsContact C-N 3.33Å; N48-E50 PolarHBondContact O-N 2.97Å; E50-V52 VanDerWaalsContact C-N 3.31Å; E50-V52 PolarHBondContact O-N 3.1Å; E50-R53 PolarHBondContact O-N 3.12Å; E50-K54 WeakPolarHBondContact O-CB 3.42Å; E50-K54 PolarHBondContact O-N 2.87Å
51A94.2Very high92.6Very high49 Ų49113 Ų11341%0.40551%0.506SS..Hα-helixtrans-60.8-40.4175.900000111.8R47 N48 S55R47-A51 VanDerWaalsContact O-CB 3.26Å; R47-A51 WeakPolarHBondContact O-CB 3.46Å; R47-A51 PolarHBondContact O-N 3.35Å; N48-A51 WeakPolarHBondContact O-CB 3.37Å; N48-A51 PolarHBondContact O-N 3.45Å; A51-S55 VanDerWaalsContact O-CB 3.29Å; A51-S55 WeakPolarHBondContact O-CB 3.42Å; A51-S55 PolarHBondContact O-N 3.21Å; A51-S55 PolarHBondContact O-OG 3.48Å
52V96.1Very high93.1Very high51 Ų51112 Ų11231%0.30951%0.507SS..Hα-helixtrans-64.8-45.4174.5170.90000110.5N48 N49 E50 S55 R56N48-V52 WeakPolarHBondContact O-CB 3.45Å; N48-V52 VanDerWaalsContact O-CG2 3.26Å; N48-V52 WeakPolarHBondContact O-CG2 3.37Å; N48-V52 PolarHBondContact O-N 3.19Å; N49-V52 PolarHBondContact O-N 2.93Å; E50-V52 VanDerWaalsContact C-N 3.31Å; E50-V52 PolarHBondContact O-N 3.1Å; V52-S55 PolarHBondContact O-N 3.49Å; V52-R56 HydrophobicContact CG1-CG 4.48Å; V52-R56 WeakPolarHBondContact O-CB 3.39Å; V52-R56 VanDerWaalsContact O-CG 3.31Å; V52-R56 WeakPolarHBondContact O-CG 3.43Å; V52-R56 PolarHBondContact O-N 3.35Å
53R95.2Very high93.4Very high143 Ų143112.4 Ų112.454%0.5451%0.508SS..Hα-helixtrans-61.2-46.4177.2-168.4-171.9-59.8121.9-0.5111.2N49 E50 S55 R56 M57N49-R53 WeakPolarHBondContact O-CB 3.31Å; N49-R53 PolarHBondContact O-N 3.09Å; E50-R53 PolarHBondContact O-N 3.12Å; R53-S55 VanDerWaalsContact C-N 3.35Å; R53-S55 PolarHBondContact O-N 2.8Å; R53-R56 PolarHBondContact O-N 3.16Å; R53-M57 WeakPolarHBondContact O-CB 3.23Å; R53-M57 WeakPolarHBondContact O-CG 3.31Å; R53-M57 PolarHBondContact O-N 2.95Å
54K94.5Very high93.7Very high168 Ų168113 Ų11373%0.7351%0.514SS*.Hα-helixtrans-61.5-42.4176.4-170.8176.6-176.4177.50111.3E50 M57 K58E50-K54 WeakPolarHBondContact O-CB 3.42Å; E50-K54 PolarHBondContact O-N 2.87Å; K54-M57 PolarHBondContact O-N 3.43Å; K54-K58 WeakPolarHBondContact O-CB 3.45Å; K54-K58 PolarHBondContact O-N 2.99Å
55S92.6Very high94Very high64 Ų64112.7 Ų112.745%0.44852%0.515SS..Hα-helixtrans-64-42.2176.9-61.10000112.2A51 V52 R53 R59A51-S55 VanDerWaalsContact O-CB 3.29Å; A51-S55 WeakPolarHBondContact O-CB 3.42Å; A51-S55 PolarHBondContact O-N 3.21Å; A51-S55 PolarHBondContact O-OG 3.48Å; V52-S55 PolarHBondContact O-N 3.49Å; R53-S55 VanDerWaalsContact C-N 3.35Å; R53-S55 PolarHBondContact O-N 2.8Å; S55-R59 PolarHBondContact O-N 2.89Å
56R95.6Very high94.2Very high166 Ų166113 Ų11363%0.62652%0.519SS*.Hα-helixtrans-66.5-44.2175.2-71175.1-177.3-173.82.1111.8V52 R53 R59 R60V52-R56 HydrophobicContact CG1-CG 4.48Å; V52-R56 WeakPolarHBondContact O-CB 3.39Å; V52-R56 VanDerWaalsContact O-CG 3.31Å; V52-R56 WeakPolarHBondContact O-CG 3.43Å; V52-R56 PolarHBondContact O-N 3.35Å; R53-R56 PolarHBondContact O-N 3.16Å; R56-R59 PolarHBondContact O-N 3.4Å; R56-R60 PolarHBondContact O-N 2.94Å; R56-R60 VanDerWaalsContact O-N 3.09Å
57M95.4Very high94.4Very high86 Ų86112 Ų11242%0.42452%0.515SS..Hα-helixtrans-61.3-43.9175.5-77.6-60.5-166.100111.7R53 K54 R59 R60 N61R53-M57 WeakPolarHBondContact O-CB 3.23Å; R53-M57 WeakPolarHBondContact O-CG 3.31Å; R53-M57 PolarHBondContact O-N 2.95Å; K54-M57 PolarHBondContact O-N 3.43Å; M57-R59 VanDerWaalsContact C-N 3.34Å; M57-R59 PolarHBondContact O-N 3.41Å; M57-R60 PolarHBondContact O-N 3.48Å; M57-R60 VanDerWaalsContact O-N 3.14Å; M57-R60 PolarHBondContact SD-NH2 3.02Å; M57-N61 PolarHBondContact O-N 2.99Å; M57-N61 PolarHBondContact O-OD1 3.17Å
58K94.4Very high94.7Very high133 Ų133107.5 Ų107.558%0.57851%0.509SS*.Hα-helixtrans-56.8-46.1176.4-173.1177.9-180-177.70111.6K54 R60 N61 M62K54-K58 WeakPolarHBondContact O-CB 3.45Å; K54-K58 PolarHBondContact O-N 2.99Å; K58-R60 PolarHBondContact O-N 2.92Å; K58-N61 PolarHBondContact O-N 2.92Å; K58-M62 HydrophobicContact CG-SD 4.24Å; K58-M62 VanDerWaalsContact O-CG 3.25Å; K58-M62 WeakPolarHBondContact O-CG 3.39Å; K58-M62 PolarHBondContact O-N 3.17Å
59R94.2Very high94.9Very high190 Ų190109.3 Ų109.372%0.71752%0.515SS*.Hα-helixtrans-61.3-42.7175.9-69.1-172.7-143.1-179.42.5112.5S55 R56 M57 M62 E63S55-R59 PolarHBondContact O-N 2.89Å; R56-R59 PolarHBondContact O-N 3.4Å; M57-R59 VanDerWaalsContact C-N 3.34Å; M57-R59 PolarHBondContact O-N 3.41Å; R59-M62 PolarHBondContact O-N 2.89Å; R59-E63 PolarHBondContact O-N 3.31Å
60R95.7Very high95Very high144 Ų144108.1 Ų108.154%0.54351%0.511SS..Hα-helixtrans-64.9-43.4177.4-73.6-167.7-70.7-165.9-3.5112.4R56 M57 K58 E63 L64R56-R60 PolarHBondContact O-N 2.94Å; R56-R60 VanDerWaalsContact O-N 3.09Å; M57-R60 PolarHBondContact O-N 3.48Å; M57-R60 VanDerWaalsContact O-N 3.14Å; M57-R60 PolarHBondContact SD-NH2 3.02Å; K58-R60 PolarHBondContact O-N 2.92Å; R60-E63 PolarHBondContact O-N 2.97Å; R60-L64 WeakPolarHBondContact O-CG 3.47Å; R60-L64 PolarHBondContact O-N 2.88Å
61N95.7Very high95.2Very high83 Ų83109.1 Ų109.144%0.44452%0.515SS..Hα-helixtrans-63.2-43177.6-716000111.2M57 K58 E63 L64 E65M57-N61 PolarHBondContact O-N 2.99Å; M57-N61 PolarHBondContact O-OD1 3.17Å; K58-N61 PolarHBondContact O-N 2.92Å; N61-E63 VanDerWaalsContact C-N 3.3Å; N61-E63 PolarHBondContact O-N 3.33Å; N61-L64 PolarHBondContact O-N 3.08Å; N61-E65 WeakPolarHBondContact O-CB 3.1Å; N61-E65 WeakPolarHBondContact O-CG 3.38Å; N61-E65 PolarHBondContact O-N 3.28Å
62M93.6Very high95.3Very high110 Ų110112.1 Ų112.154%0.54252%0.524SS..Hα-helixtrans-60.9-39.6175.4-70.9177.870.800112.4K58 R59 K66K58-M62 HydrophobicContact CG-SD 4.24Å; K58-M62 VanDerWaalsContact O-CG 3.25Å; K58-M62 WeakPolarHBondContact O-CG 3.39Å; K58-M62 PolarHBondContact O-N 3.17Å; R59-M62 PolarHBondContact O-N 2.89Å; M62-K66 WeakPolarHBondContact O-CB 3.31Å; M62-K66 PolarHBondContact O-N 2.86Å
63E92.8Very high95.3Very high92 Ų92113.5 Ų113.543%0.4353%0.529SS..Hα-helixtrans-66-42.9175.4-177.857.1-148.900111.6R59 R60 N61 K66 Q67R59-E63 PolarHBondContact O-N 3.31Å; R60-E63 PolarHBondContact O-N 2.97Å; N61-E63 VanDerWaalsContact C-N 3.3Å; N61-E63 PolarHBondContact O-N 3.33Å; E63-K66 PolarHBondContact O-N 3.45Å; E63-Q67 VanDerWaalsContact O-CG 3.27Å; E63-Q67 WeakPolarHBondContact O-CG 3.3Å; E63-Q67 PolarHBondContact O-N 3.26Å; E63-Q67 PolarHBondContact OE1-NE2 2.91Å
64L96.5Very high95.4Very high102 Ų102114.2 Ų114.253%0.53453%0.532SS..Hα-helixtrans-64.7-42.3176.5-71172.1000112.4R60 N61 K66 Q67 A68R60-L64 WeakPolarHBondContact O-CG 3.47Å; R60-L64 PolarHBondContact O-N 2.88Å; N61-L64 PolarHBondContact O-N 3.08Å; L64-K66 VanDerWaalsContact C-N 3.34Å; L64-Q67 PolarHBondContact O-N 3.38Å; L64-A68 WeakPolarHBondContact O-CB 3.29Å; L64-A68 PolarHBondContact O-N 3.2Å
65E96.1Very high95.5Very high123 Ų123108.8 Ų108.858%0.57552%0.518SS*.Hα-helixtrans-60.5-45.1175.4-76.2168.5-169.900111N61 Q67 A68 Q69N61-E65 WeakPolarHBondContact O-CB 3.1Å; N61-E65 WeakPolarHBondContact O-CG 3.38Å; N61-E65 PolarHBondContact O-N 3.28Å; E65-Q67 VanDerWaalsContact C-N 3.35Å; E65-Q67 PolarHBondContact O-N 3.16Å; E65-A68 PolarHBondContact O-N 3.23Å; E65-Q69 WeakPolarHBondContact O-CB 3.31Å; E65-Q69 PolarHBondContact O-N 3.47Å
66K94.1Very high95.8Very high131 Ų131110.2 Ų110.257%0.5752%0.518SS*.Hα-helixtrans-61.7-43.2175.4-176.3-178.8175.8-173.80111.6M62 E63 L64 Q69 V70M62-K66 WeakPolarHBondContact O-CB 3.31Å; M62-K66 PolarHBondContact O-N 2.86Å; E63-K66 PolarHBondContact O-N 3.45Å; L64-K66 VanDerWaalsContact C-N 3.34Å; K66-Q69 PolarHBondContact O-N 3.42Å; K66-V70 VanDerWaalsContact O-CG2 3.31Å; K66-V70 WeakPolarHBondContact O-CG2 3.42Å; K66-V70 PolarHBondContact O-N 2.78Å
67Q95.8Very high95.8Very high90 Ų90106.4 Ų106.442%0.42151%0.51SS..Hα-helixtrans-64-44.1177-73.3175.213.200111.9E63 L64 E65 Q69 V70 Q71E63-Q67 VanDerWaalsContact O-CG 3.27Å; E63-Q67 WeakPolarHBondContact O-CG 3.3Å; E63-Q67 PolarHBondContact O-N 3.26Å; E63-Q67 PolarHBondContact OE1-NE2 2.91Å; L64-Q67 PolarHBondContact O-N 3.38Å; E65-Q67 VanDerWaalsContact C-N 3.35Å; E65-Q67 PolarHBondContact O-N 3.16Å; Q67-Q69 VanDerWaalsContact C-N 3.33Å; Q67-Q69 PolarHBondContact O-N 3.45Å; Q67-V70 PolarHBondContact O-N 3.49Å; Q67-Q71 WeakPolarHBondContact O-CG 3.46Å; Q67-Q71 PolarHBondContact O-N 3.26Å
68A97.3Very high95.9Very high55 Ų55108.6 Ų108.646%0.45552%0.519SS..Hα-helixtrans-61.9-41.9176.100000111.5L64 E65 Q71 L72L64-A68 WeakPolarHBondContact O-CB 3.29Å; L64-A68 PolarHBondContact O-N 3.2Å; E65-A68 PolarHBondContact O-N 3.23Å; A68-Q71 PolarHBondContact O-N 3.2Å; A68-L72 PolarHBondContact O-N 2.91Å
69Q96Very high96.1Very high124 Ų124109 Ų10958%0.57952%0.523SS*.Hα-helixtrans-63.3-43.3175.7-174.1175.52800112E65 K66 Q67 Q71 L72 L73E65-Q69 WeakPolarHBondContact O-CB 3.31Å; E65-Q69 PolarHBondContact O-N 3.47Å; K66-Q69 PolarHBondContact O-N 3.42Å; Q67-Q69 VanDerWaalsContact C-N 3.33Å; Q67-Q69 PolarHBondContact O-N 3.45Å; Q69-Q71 VanDerWaalsContact C-N 3.3Å; Q69-Q71 PolarHBondContact O-N 3.29Å; Q69-L72 PolarHBondContact O-N 3.29Å; Q69-L73 HydrophobicContact CG-CD1 4.19Å; Q69-L73 WeakPolarHBondContact O-CG 3.5Å; Q69-L73 PolarHBondContact O-N 2.94Å
70V97.1Very high96.3Very high57 Ų57104.4 Ų104.435%0.34551%0.512SS..Hα-helixtrans-62.7-38.1175.6169.20000111.2K66 Q67 R74K66-V70 VanDerWaalsContact O-CG2 3.31Å; K66-V70 WeakPolarHBondContact O-CG2 3.42Å; K66-V70 PolarHBondContact O-N 2.78Å; Q67-V70 PolarHBondContact O-N 3.49Å; V70-R74 VanDerWaalsContact O-CG 3.27Å; V70-R74 WeakPolarHBondContact O-CG 3.22Å; V70-R74 PolarHBondContact O-N 3.47Å
71Q95.7Very high96.4Very high130 Ų130104.1 Ų104.161%0.60752%0.517SS*.Hα-helixtrans-65.7-43.9175.2-73.1175.93.300112Q67 A68 Q69 R74 A75Q67-Q71 WeakPolarHBondContact O-CG 3.46Å; Q67-Q71 PolarHBondContact O-N 3.26Å; A68-Q71 PolarHBondContact O-N 3.2Å; Q69-Q71 VanDerWaalsContact C-N 3.3Å; Q69-Q71 PolarHBondContact O-N 3.29Å; Q71-R74 PolarHBondContact O-N 2.94Å; Q71-A75 PolarHBondContact O-N 2.82Å
72L96.9Very high96.5Very high112 Ų112104 Ų10459%0.58652%0.523SS*.Hα-helixtrans-61.7-46.4177-177.7138.2000111.6A68 Q69 R74 A75 E76A68-L72 PolarHBondContact O-N 2.91Å; Q69-L72 PolarHBondContact O-N 3.29Å; L72-R74 VanDerWaalsContact C-N 3.27Å; L72-R74 PolarHBondContact O-N 3.17Å; L72-A75 PolarHBondContact O-N 3.38Å; L72-E76 PolarHBondContact O-N 2.89Å
73L96.5Very high96.7Very high80 Ų80104.7 Ų104.742%0.41952%0.519SS..Hα-helixtrans-63.9-32.4177.4-71.2172.4000112.6Q69 N77Q69-L73 HydrophobicContact CG-CD1 4.19Å; Q69-L73 WeakPolarHBondContact O-CG 3.5Å; Q69-L73 PolarHBondContact O-N 2.94Å; L73-N77 WeakPolarHBondContact O-CB 3.27Å; L73-N77 PolarHBondContact O-N 3.4Å; L73-N77 PolarHBondContact O-ND2 2.86Å; L73-N77 VanDerWaalsContact O-ND2 3.16Å
74R97.2Very high96.9Very high159 Ų159103.9 Ų103.960%0.652%0.52SS*.Hα-helixtrans-66-46.9172.6-76.5173.1-178.1169.20.9111.4V70 Q71 L72 E76 N77 E78V70-R74 VanDerWaalsContact O-CG 3.27Å; V70-R74 WeakPolarHBondContact O-CG 3.22Å; V70-R74 PolarHBondContact O-N 3.47Å; Q71-R74 PolarHBondContact O-N 2.94Å; L72-R74 VanDerWaalsContact C-N 3.27Å; L72-R74 PolarHBondContact O-N 3.17Å; R74-E76 PolarHBondContact O-N 2.91Å; R74-N77 PolarHBondContact O-N 2.85Å; R74-E78 WeakPolarHBondContact O-CG 3.49Å; R74-E78 PolarHBondContact O-N 2.98Å
75A97.6Very high97Very high53 Ų53101.5 Ų101.544%0.43852%0.516SS..Hα-helixtrans-62.9-41.8177.900000112.3Q71 L72 E78 E79Q71-A75 PolarHBondContact O-N 2.82Å; L72-A75 PolarHBondContact O-N 3.38Å; A75-E78 PolarHBondContact O-N 2.88Å; A75-E79 PolarHBondContact O-N 2.94Å
76E97.6Very high97.1Very high95 Ų9599.7 Ų99.744%0.44451%0.507SS..Hα-helixtrans-63.3-41.9175.4-175177.6-17600111.6L72 R74 E78 E79 L80L72-E76 PolarHBondContact O-N 2.89Å; R74-E76 PolarHBondContact O-N 2.91Å; E76-E78 VanDerWaalsContact C-N 3.35Å; E76-E78 PolarHBondContact O-N 3.38Å; E76-E79 PolarHBondContact O-N 3.39Å; E76-L80 HydrophobicContact CG-CD1 4.23Å; E76-L80 WeakPolarHBondContact O-CB 3.33Å; E76-L80 VanDerWaalsContact O-CG 3.3Å; E76-L80 WeakPolarHBondContact O-CG 3.35Å; E76-L80 PolarHBondContact O-N 3.26Å
77N96.4Very high97.2Very high86 Ų8696.7 Ų96.746%0.4650%0.497SS..Hα-helixtrans-62.5-41.5174.7-76.6-27000112L73 R74 E79 L80 E81L73-N77 WeakPolarHBondContact O-CB 3.27Å; L73-N77 PolarHBondContact O-N 3.4Å; L73-N77 PolarHBondContact O-ND2 2.86Å; L73-N77 VanDerWaalsContact O-ND2 3.16Å; R74-N77 PolarHBondContact O-N 2.85Å; N77-E79 VanDerWaalsContact C-N 3.32Å; N77-E79 PolarHBondContact O-N 3.48Å; N77-L80 PolarHBondContact O-N 3.24Å; N77-E81 WeakPolarHBondContact O-CB 3.39Å; N77-E81 VanDerWaalsContact O-CG 3.26Å; N77-E81 WeakPolarHBondContact O-CG 3.36Å; N77-E81 PolarHBondContact O-N 3.44Å
78E97.6Very high97.3Very high131 Ų13198.2 Ų98.261%0.61250%0.504SS*.Hα-helixtrans-61.1-40.5175.4-72.3170.3-167.700111.7R74 A75 E76 S82R74-E78 WeakPolarHBondContact O-CG 3.49Å; R74-E78 PolarHBondContact O-N 2.98Å; A75-E78 PolarHBondContact O-N 2.88Å; E76-E78 VanDerWaalsContact C-N 3.35Å; E76-E78 PolarHBondContact O-N 3.38Å; E78-S82 PolarHBondContact O-N 3.41Å
79E97.8Very high97.3Very high143 Ų143102.2 Ų102.267%0.66851%0.513SS*.Hα-helixtrans-65-45.4174.7-174179.4175.900111.8A75 E76 N77 S82 R83A75-E79 PolarHBondContact O-N 2.94Å; E76-E79 PolarHBondContact O-N 3.39Å; N77-E79 VanDerWaalsContact C-N 3.32Å; N77-E79 PolarHBondContact O-N 3.48Å; E79-S82 WeakPolarHBondContact O-CB 3.42Å; E79-S82 PolarHBondContact O-N 3.37Å; E79-R83 WeakPolarHBondContact O-CB 3.48Å; E79-R83 PolarHBondContact O-N 2.84Å
80L98Very high97.3Very high93 Ų93101 Ų10149%0.48751%0.508SS..Hα-helixtrans-62.5-42.1177.2-72173.8000111.6E76 N77 R83 V84E76-L80 HydrophobicContact CG-CD1 4.23Å; E76-L80 WeakPolarHBondContact O-CB 3.33Å; E76-L80 VanDerWaalsContact O-CG 3.3Å; E76-L80 WeakPolarHBondContact O-CG 3.35Å; E76-L80 PolarHBondContact O-N 3.26Å; N77-L80 PolarHBondContact O-N 3.24Å; L80-R83 PolarHBondContact O-N 3.29Å; L80-V84 WeakPolarHBondContact O-CB 3.43Å; L80-V84 VanDerWaalsContact O-CG2 3.27Å; L80-V84 WeakPolarHBondContact O-CG2 3.34Å; L80-V84 PolarHBondContact O-N 2.82Å
81E97.6Very high97.3Very high138 Ų138103.2 Ų103.265%0.64552%0.517SS*.Hα-helixtrans-60.6-44.4175.1-76.6175.7-174.900111.4N77 R83 V84 A85N77-E81 WeakPolarHBondContact O-CB 3.39Å; N77-E81 VanDerWaalsContact O-CG 3.26Å; N77-E81 WeakPolarHBondContact O-CG 3.36Å; N77-E81 PolarHBondContact O-N 3.44Å; E81-R83 PolarHBondContact O-N 2.9Å; E81-V84 PolarHBondContact O-N 3.27Å; E81-A85 WeakPolarHBondContact O-CB 3.28Å; E81-A85 PolarHBondContact O-N 2.9Å
82S98.1Very high97.3Very high80 Ų8099.8 Ų99.856%0.55951%0.508SS*.Hα-helixtrans-61.9-43.3174.7-174.10000111.9E78 E79 A85 Q86E78-S82 PolarHBondContact O-N 3.41Å; E79-S82 WeakPolarHBondContact O-CB 3.42Å; E79-S82 PolarHBondContact O-N 3.37Å; S82-A85 PolarHBondContact O-N 3.32Å; S82-Q86 WeakPolarHBondContact O-CB 3.49Å; S82-Q86 PolarHBondContact O-N 3.27Å
83R97.7Very high97.2Very high125 Ų12597.3 Ų97.347%0.47250%0.503SS..Hα-helixtrans-65.1-41.5177.8-176.556.9177.2176.6-0.4112E79 L80 E81 Q86 L87E79-R83 WeakPolarHBondContact O-CB 3.48Å; E79-R83 PolarHBondContact O-N 2.84Å; L80-R83 PolarHBondContact O-N 3.29Å; E81-R83 PolarHBondContact O-N 2.9Å; R83-Q86 PolarHBondContact O-N 3.5Å; R83-L87 HydrophobicContact CG-CD1 4.21Å; R83-L87 WeakPolarHBondContact O-CB 3.48Å; R83-L87 VanDerWaalsContact O-CG 3.31Å; R83-L87 WeakPolarHBondContact O-CG 3.47Å; R83-L87 PolarHBondContact O-N 2.91Å
84V98.1Very high97.1Very high74 Ų7498.2 Ų98.245%0.44851%0.508SS..Hα-helixtrans-62.4-45.9175.2168.10000110.2L80 E81 Q86 L87 Q88L80-V84 WeakPolarHBondContact O-CB 3.43Å; L80-V84 VanDerWaalsContact O-CG2 3.27Å; L80-V84 WeakPolarHBondContact O-CG2 3.34Å; L80-V84 PolarHBondContact O-N 2.82Å; E81-V84 PolarHBondContact O-N 3.27Å; V84-Q86 VanDerWaalsContact C-N 3.35Å; V84-Q86 PolarHBondContact O-N 3.02Å; V84-L87 PolarHBondContact O-N 2.89Å; V84-Q88 HydrophobicContact CG1-CG 4.32Å; V84-Q88 WeakPolarHBondContact O-CB 3.29Å; V84-Q88 VanDerWaalsContact O-CG 3.29Å; V84-Q88 WeakPolarHBondContact O-CG 3.27Å; V84-Q88 PolarHBondContact O-N 3.09Å
85A97.9Very high96.9Very high53 Ų5397 Ų9744%0.43851%0.509SS..Hα-helixtrans-60.6-43176.800000112E81 S82 Q88 Q89E81-A85 WeakPolarHBondContact O-CB 3.28Å; E81-A85 PolarHBondContact O-N 2.9Å; S82-A85 PolarHBondContact O-N 3.32Å; A85-Q88 PolarHBondContact O-N 3.46Å; A85-Q89 WeakPolarHBondContact O-CB 3.31Å; A85-Q89 PolarHBondContact O-N 2.89Å
86Q97.3Very high96.5Very high84 Ų8497.5 Ų97.539%0.39351%0.509SS..Hα-helixtrans-61.5-46.1175.6-173.6-173.821.300111.7S82 R83 V84 Q89 Q90S82-Q86 WeakPolarHBondContact O-CB 3.49Å; S82-Q86 PolarHBondContact O-N 3.27Å; R83-Q86 PolarHBondContact O-N 3.5Å; V84-Q86 VanDerWaalsContact C-N 3.35Å; V84-Q86 PolarHBondContact O-N 3.02Å; Q86-Q89 WeakPolarHBondContact O-CB 3.47Å; Q86-Q89 PolarHBondContact O-N 3.48Å; Q86-Q90 WeakPolarHBondContact O-CG 3.29Å; Q86-Q90 PolarHBondContact O-N 2.83Å
87L97.8Very high96.1Very high68 Ų6896.2 Ų96.236%0.35651%0.51SS..Hα-helixtrans-66-39.7178.7-71.5173.3000111.4R83 V84 Q89 Q90 L91R83-L87 HydrophobicContact CG-CD1 4.21Å; R83-L87 WeakPolarHBondContact O-CB 3.48Å; R83-L87 VanDerWaalsContact O-CG 3.31Å; R83-L87 WeakPolarHBondContact O-CG 3.47Å; R83-L87 PolarHBondContact O-N 2.91Å; V84-L87 PolarHBondContact O-N 2.89Å; L87-Q89 VanDerWaalsContact C-N 3.33Å; L87-Q89 PolarHBondContact O-N 3.29Å; L87-Q90 PolarHBondContact O-N 3.04Å; L87-L91 WeakPolarHBondContact O-CB 3.3Å; L87-L91 VanDerWaalsContact O-CG 3.27Å; L87-L91 WeakPolarHBondContact O-CG 3.47Å; L87-L91 PolarHBondContact O-N 2.99Å
88Q97.1Very high95.6Very high122 Ų12297.2 Ų97.257%0.5751%0.514SS*.Hα-helixtrans-62.3-39.5173.4-74.5174.3-12.100112V84 A85 S92V84-Q88 HydrophobicContact CG1-CG 4.32Å; V84-Q88 WeakPolarHBondContact O-CB 3.29Å; V84-Q88 VanDerWaalsContact O-CG 3.29Å; V84-Q88 WeakPolarHBondContact O-CG 3.27Å; V84-Q88 PolarHBondContact O-N 3.09Å; A85-Q88 PolarHBondContact O-N 3.46Å; Q88-S92 WeakPolarHBondContact O-CB 3.43Å; Q88-S92 PolarHBondContact O-N 3.48Å; Q88-S92 PolarHBondContact O-OG 3.01Å
89Q96.5Very high94.9Very high139 Ų139100.1 Ų100.165%0.6552%0.52SS*.Hα-helixtrans-63.4-44.2172.8-172.3-175.111.300111.5A85 Q86 L87 S92 A93A85-Q89 WeakPolarHBondContact O-CB 3.31Å; A85-Q89 PolarHBondContact O-N 2.89Å; Q86-Q89 WeakPolarHBondContact O-CB 3.47Å; Q86-Q89 PolarHBondContact O-N 3.48Å; L87-Q89 VanDerWaalsContact C-N 3.33Å; L87-Q89 PolarHBondContact O-N 3.29Å; Q89-S92 WeakPolarHBondContact CA-OG 3.42Å; Q89-S92 PolarHBondContact O-OG 2.94Å; Q89-A93 VanDerWaalsContact O-CB 3.28Å; Q89-A93 WeakPolarHBondContact O-CB 3.49Å; Q89-A93 PolarHBondContact O-N 3.29Å
90Q96.7Very high94Very high100 Ų10099.6 Ų99.647%0.46752%0.519SS..Hα-helixtrans-64.4-43.1177.8-73.1178.4-6.100112Q86 L87 A93 L94Q86-Q90 WeakPolarHBondContact O-CG 3.29Å; Q86-Q90 PolarHBondContact O-N 2.83Å; L87-Q90 PolarHBondContact O-N 3.04Å; Q90-A93 PolarHBondContact O-N 3.45Å; Q90-L94 WeakPolarHBondContact O-CB 3.48Å; Q90-L94 PolarHBondContact O-N 3.5Å
91L96.9Very high92.7Very high102 Ų102100.9 Ų100.953%0.53452%0.524SS..Hα-helixtrans-65.2-47.6177.4-72.2175.4000111L87 A93 L94 E95L87-L91 WeakPolarHBondContact O-CB 3.3Å; L87-L91 VanDerWaalsContact O-CG 3.27Å; L87-L91 WeakPolarHBondContact O-CG 3.47Å; L87-L91 PolarHBondContact O-N 2.99Å; L91-A93 VanDerWaalsContact C-N 3.32Å; L91-A93 PolarHBondContact O-N 2.91Å; L91-L94 PolarHBondContact O-N 3.2Å; L91-L94 VanDerWaalsContact O-N 3.17Å; L91-E95 WeakPolarHBondContact O-CB 3.26Å; L91-E95 VanDerWaalsContact O-CG 3.31Å; L91-E95 WeakPolarHBondContact O-CG 3.38Å; L91-E95 PolarHBondContact O-N 3.02Å
92S96.1Very high91.6Very high59 Ų5998.3 Ų98.341%0.41352%0.519SS..Hα-helixtrans-63.3-36.8177.557.40000112.7Q88 Q89 E95 C96Q88-S92 WeakPolarHBondContact O-CB 3.43Å; Q88-S92 PolarHBondContact O-N 3.48Å; Q88-S92 PolarHBondContact O-OG 3.01Å; Q89-S92 WeakPolarHBondContact CA-OG 3.42Å; Q89-S92 PolarHBondContact O-OG 2.94Å; S92-E95 PolarHBondContact O-N 2.94Å; S92-C96 WeakPolarHBondContact O-CB 3.37Å; S92-C96 PolarHBondContact O-N 3.36Å
93A94.7Very high90.3Very high59 Ų59102.9 Ų102.949%0.48853%0.529SS..Hα-helixtrans-64.5-42.4173.200000112Q89 Q90 L91 C96 S97Q89-A93 VanDerWaalsContact O-CB 3.28Å; Q89-A93 WeakPolarHBondContact O-CB 3.49Å; Q89-A93 PolarHBondContact O-N 3.29Å; Q90-A93 PolarHBondContact O-N 3.45Å; L91-A93 VanDerWaalsContact C-N 3.32Å; L91-A93 PolarHBondContact O-N 2.91Å; A93-C96 WeakPolarHBondContact O-CB 3.33Å; A93-C96 PolarHBondContact O-N 3.3Å; A93-S97 PolarHBondContact O-N 2.97Å
94L93.4Very high88.1Confident99 Ų99104.3 Ų104.352%0.51854%0.54SS..Hα-helixtrans-66.4-43.2176.2-176.661.8000111.6Q90 L91 C96 S97 I98Q90-L94 WeakPolarHBondContact O-CB 3.48Å; Q90-L94 PolarHBondContact O-N 3.5Å; L91-L94 PolarHBondContact O-N 3.2Å; L91-L94 VanDerWaalsContact O-N 3.17Å; L94-C96 VanDerWaalsContact C-N 3.32Å; L94-C96 PolarHBondContact O-N 3.03Å; L94-S97 WeakPolarHBondContact O-CB 3.36Å; L94-S97 PolarHBondContact O-N 3.28Å; L94-I98 HydrophobicContact CD1-CD1 4.3Å; L94-I98 HydrophobicContact CD1-CG1 4.47Å; L94-I98 HydrophobicContact CG-CD1 4Å; L94-I98 VanDerWaalsContact O-CG1 3.31Å; L94-I98 WeakPolarHBondContact O-CG1 3.34Å; L94-I98 PolarHBondContact O-N 3.41Å
95E93.3Very high86.4Confident134 Ų134112.3 Ų112.363%0.62656%0.562SS**Hα-helixtrans-59-43.1173.6-75.9178.9172.200111.4L91 S92 I98 R99L91-E95 WeakPolarHBondContact O-CB 3.26Å; L91-E95 VanDerWaalsContact O-CG 3.31Å; L91-E95 WeakPolarHBondContact O-CG 3.38Å; L91-E95 PolarHBondContact O-N 3.02Å; S92-E95 PolarHBondContact O-N 2.94Å; E95-I98 PolarHBondContact O-N 3.14Å; E95-R99 VanDerWaalsContact O-CB 3.22Å; E95-R99 WeakPolarHBondContact O-CB 3.37Å; E95-R99 PolarHBondContact O-N 3.23Å
96C90.5Very high85.1Confident64 Ų64113.1 Ų113.143%0.43258%0.576SS.*Hα-helixtrans-60.8-48.3174.1-171.50000110.8S92 A93 L94 I98 R99 M100S92-C96 WeakPolarHBondContact O-CB 3.37Å; S92-C96 PolarHBondContact O-N 3.36Å; A93-C96 WeakPolarHBondContact O-CB 3.33Å; A93-C96 PolarHBondContact O-N 3.3Å; L94-C96 VanDerWaalsContact C-N 3.32Å; L94-C96 PolarHBondContact O-N 3.03Å; C96-I98 PolarHBondContact O-N 3.09Å; C96-R99 WeakPolarHBondContact O-CB 3.39Å; C96-R99 PolarHBondContact O-N 3.45Å; C96-R99 VanDerWaalsContact O-N 3.16Å; C96-M100 VanDerWaalsContact O-CG 3.29Å; C96-M100 WeakPolarHBondContact O-CG 3.4Å; C96-M100 PolarHBondContact O-N 2.96Å
97S89.2Confident84.1Confident68 Ų68115.1 Ų115.148%0.47659%0.588SS.*Hα-helixtrans-57.4-49.4177.7-176.70000111.8A93 L94 R99 M100 M101A93-S97 PolarHBondContact O-N 2.97Å; L94-S97 WeakPolarHBondContact O-CB 3.36Å; L94-S97 PolarHBondContact O-N 3.28Å; S97-R99 VanDerWaalsContact C-N 3.3Å; S97-R99 PolarHBondContact O-N 3.35Å; S97-M100 PolarHBondContact O-N 3.07Å; S97-M101 WeakPolarHBondContact O-CG 3.36Å; S97-M101 PolarHBondContact O-N 3.08Å
98I85.3Confident83.4Confident107 Ų107115.2 Ų115.255%0.54960%0.595SS.*Hα-helixtrans-60.8-40.5177.4-68167.9000110.9L94 E95 C96 M101L94-I98 HydrophobicContact CD1-CD1 4.3Å; L94-I98 HydrophobicContact CD1-CG1 4.47Å; L94-I98 HydrophobicContact CG-CD1 4Å; L94-I98 VanDerWaalsContact O-CG1 3.31Å; L94-I98 WeakPolarHBondContact O-CG1 3.34Å; L94-I98 PolarHBondContact O-N 3.41Å; E95-I98 PolarHBondContact O-N 3.14Å; C96-I98 PolarHBondContact O-N 3.09Å; I98-M101 VanDerWaalsContact O-CB 3.3Å; I98-M101 WeakPolarHBondContact O-CB 3.49Å; I98-M101 WeakPolarHBondContact O-CG 3.38Å; I98-M101 PolarHBondContact O-N 3.05Å
99R83Confident83Confident192 Ų192117.6 Ų117.673%0.72560%0.603SS**Hα-helixtrans-66.3-36.3178.5-177.1179176.3-173.5-0.5112.5E95 C96 S97 M101E95-R99 VanDerWaalsContact O-CB 3.22Å; E95-R99 WeakPolarHBondContact O-CB 3.37Å; E95-R99 PolarHBondContact O-N 3.23Å; C96-R99 WeakPolarHBondContact O-CB 3.39Å; C96-R99 PolarHBondContact O-N 3.45Å; C96-R99 VanDerWaalsContact O-N 3.16Å; S97-R99 VanDerWaalsContact C-N 3.3Å; S97-R99 PolarHBondContact O-N 3.35Å; R99-M101 PolarHBondContact O-N 3.26Å
100M79.5Confident82.7Confident132 Ų132117.1 Ų117.165%0.6561%0.605SS**Hα-helixtrans-74.5-10.3177-64.2-53.6154.800113C96 S97C96-M100 VanDerWaalsContact O-CG 3.29Å; C96-M100 WeakPolarHBondContact O-CG 3.4Å; C96-M100 PolarHBondContact O-N 2.96Å; S97-M100 PolarHBondContact O-N 3.07Å
101M69.9Low82.2Confident120 Ų120117.9 Ų117.959%0.59161%0.607SS**SBendtrans-64133.7174.1-60.9-63.7-84.900109.8S97 I98 R99 K103S97-M101 WeakPolarHBondContact O-CG 3.36Å; S97-M101 PolarHBondContact O-N 3.08Å; I98-M101 VanDerWaalsContact O-CB 3.3Å; I98-M101 WeakPolarHBondContact O-CB 3.49Å; I98-M101 WeakPolarHBondContact O-CG 3.38Å; I98-M101 PolarHBondContact O-N 3.05Å; R99-M101 PolarHBondContact O-N 3.26Å; M101-K103 PolarHBondContact O-N 3.27Å
102P75.3Confident82Confident83 Ų83116 Ų11654%0.53960%0.599SS.*  trans-60.2106.4177.125.1-34.3000109.7H104P102-H104 VanDerWaalsContact CB-CD2 3.45Å; P102-H104 WeakPolarHBondContact CB-CD2 3.27Å; P102-H104 WeakPolarHBondContact CB-NE2 3.32Å; P102-H104 PolarHBondContact O-N 2.84Å
103K69.3Low81.8Confident177 Ų177118.1 Ų118.177%0.7760%0.601SS**  trans-69.4-12.3170.8-63.4-173.6-179.1-1770112.1M101 R105M101-K103 PolarHBondContact O-N 3.27Å; K103-R105 PolarHBondContact O-N 3.42Å
104H53.2Low81.8Confident155 Ų155117.3 Ų117.372%0.71860%0.595SS**SBendtrans-74.6107-174.619.2-75.9000109.5P102P102-H104 VanDerWaalsContact CB-CD2 3.45Å; P102-H104 WeakPolarHBondContact CB-CD2 3.27Å; P102-H104 WeakPolarHBondContact CB-NE2 3.32Å; P102-H104 PolarHBondContact O-N 2.84Å
105R62.1Low81.8Confident241 Ų241117.7 Ų117.791%0.90959%0.593SS**SBendtrans76.6107.4-168.7-53.5-179.2-170.8170.13.9111.7K103K103-R105 PolarHBondContact O-N 3.42Å
106G69.9Low81.8Confident71 Ų71115.2 Ų115.273%0.73259%0.588SS**PPolyproline II helixtrans-47.7153.1171.400000111.8S108G106-S108 PolarHBondContact O-N 3.46Å; G106-S108 VanDerWaalsContact O-N 3.08Å
107I75.5Confident82Confident126 Ų126117.1 Ų117.165%0.64659%0.59SS**PPolyproline II helixtrans-61.2117.4-176.6-48.8167.4000107.8K111 V112I107-K111 HydrophobicContact CG2-CB 4.08Å; I107-K111 HydrophobicContact CG2-CD 4.31Å; I107-K111 HydrophobicContact CG2-CG 4.09Å; I107-V112 HydrophobicContact CB-CG2 4.03Å; I107-V112 HydrophobicContact CG2-CG2 3.43Å; I107-V112 VanDerWaalsContact CG2-CG2 3.43Å
108S83.5Confident82.3Confident70 Ų70119 Ų11949%0.4959%0.594SS.*PPolyproline II helixtrans-62.1142.217863.60000109.8G106 L110 K111 V112G106-S108 PolarHBondContact O-N 3.46Å; G106-S108 VanDerWaalsContact O-N 3.08Å; S108-L110 PolarHBondContact O-N 3.25Å; S108-L110 VanDerWaalsContact O-N 3.12Å; S108-K111 WeakPolarHBondContact O-CA 3.45Å; S108-K111 WeakPolarHBondContact O-CB 3.38Å; S108-K111 PolarHBondContact O-N 3.37Å; S108-K111 WeakPolarHBondContact OG-CB 3.38Å; S108-K111 PolarHBondContact OG-N 3.23Å; S108-V112 PolarHBondContact O-N 2.77Å; S108-V112 VanDerWaalsContact O-N 3.09Å
109F89.3Confident82.8Confident171 Ų171116.6 Ų116.675%0.7559%0.587SS**Hα-helixtrans-52.1-38.3179.2176.8-100.6000112.1K111 V112 K113F109-K111 VanDerWaalsContact C-N 3.35Å; F109-K111 PolarHBondContact O-N 3.37Å; F109-V112 PolarHBondContact O-N 2.77Å; F109-K113 WeakPolarHBondContact O-CB 3.37Å; F109-K113 PolarHBondContact O-N 3.31Å
110L90.4Very high83.5Confident129 Ų129114.5 Ų114.568%0.67558%0.58SS**Hα-helixtrans-62.9-38.3176.1-172.160.6000112.7S108 K113 A114S108-L110 PolarHBondContact O-N 3.25Å; S108-L110 VanDerWaalsContact O-N 3.12Å; L110-K113 PolarHBondContact O-N 3.42Å; L110-A114 WeakPolarHBondContact O-CB 3.35Å; L110-A114 PolarHBondContact O-N 3.01Å
111K86.7Confident84.2Confident117 Ų117113.4 Ų113.451%0.50958%0.576SS.*Hα-helixtrans-69.2-41176.4-176.9166.7-176175.80111.8I107 S108 F109 A114 H115I107-K111 HydrophobicContact CG2-CB 4.08Å; I107-K111 HydrophobicContact CG2-CD 4.31Å; I107-K111 HydrophobicContact CG2-CG 4.09Å; S108-K111 WeakPolarHBondContact O-CA 3.45Å; S108-K111 WeakPolarHBondContact O-CB 3.38Å; S108-K111 PolarHBondContact O-N 3.37Å; S108-K111 WeakPolarHBondContact OG-CB 3.38Å; S108-K111 PolarHBondContact OG-N 3.23Å; F109-K111 VanDerWaalsContact C-N 3.35Å; F109-K111 PolarHBondContact O-N 3.37Å; K111-A114 PolarHBondContact O-N 2.92Å; K111-H115 WeakPolarHBondContact CE-NE2 3.49Å; K111-H115 PolarHBondContact O-CD2 3.16Å; K111-H115 PolarHBondContact O-N 2.94Å
112V91.1Very high85.4Confident63 Ų63113.8 Ų113.838%0.38258%0.577SS.*Hα-helixtrans-61.1-45.6173-179.10000110.8I107 S108 F109 A114 H115 T116I107-V112 HydrophobicContact CB-CG2 4.03Å; I107-V112 HydrophobicContact CG2-CG2 3.43Å; I107-V112 VanDerWaalsContact CG2-CG2 3.43Å; S108-V112 PolarHBondContact O-N 2.77Å; S108-V112 VanDerWaalsContact O-N 3.09Å; F109-V112 PolarHBondContact O-N 2.77Å; V112-A114 PolarHBondContact O-N 2.95Å; V112-H115 PolarHBondContact O-N 2.98Å; V112-T116 HydrophobicContact CG1-CG2 4.14Å; V112-T116 WeakPolarHBondContact O-CB 3.49Å; V112-T116 VanDerWaalsContact O-CG2 3.31Å; V112-T116 WeakPolarHBondContact O-CG2 3.36Å; V112-T116 PolarHBondContact O-N 3.28Å; V112-T116 PolarHBondContact O-OG1 3.44Å
113K92.9Very high86.3Confident102 Ų102114.2 Ų114.244%0.44357%0.574SS.*Hα-helixtrans-59.2-46177-175.6177.7178.9-179.70111.8F109 L110 T116 Q117F109-K113 WeakPolarHBondContact O-CB 3.37Å; F109-K113 PolarHBondContact O-N 3.31Å; L110-K113 PolarHBondContact O-N 3.42Å; K113-T116 WeakPolarHBondContact CA-OG1 3.15Å; K113-T116 PolarHBondContact O-OG1 3.01Å; K113-Q117 WeakPolarHBondContact O-CB 3.42Å; K113-Q117 WeakPolarHBondContact O-CG 3.24Å; K113-Q117 PolarHBondContact O-N 3.05Å
114A94.3Very high87.5Confident43 Ų43108.5 Ų108.536%0.35555%0.552SS.*Hα-helixtrans-62.2-48.517700000111.9L110 K111 V112 T116 Q117 L118L110-A114 WeakPolarHBondContact O-CB 3.35Å; L110-A114 PolarHBondContact O-N 3.01Å; K111-A114 PolarHBondContact O-N 2.92Å; V112-A114 PolarHBondContact O-N 2.95Å; A114-T116 PolarHBondContact O-N 3.31Å; A114-Q117 PolarHBondContact O-N 3.26Å; A114-L118 WeakPolarHBondContact O-CB 2.86Å; A114-L118 VanDerWaalsContact O-CG 3.3Å; A114-L118 WeakPolarHBondContact O-CG 3.18Å; A114-L118 PolarHBondContact O-N 3.12Å
115H92.8Very high89.5Confident106 Ų106102.5 Ų102.549%0.49153%0.532SS..Hα-helixtrans-63.9-41.3179.5-78.3-61.9000113.2K111 V112 L118 S119K111-H115 WeakPolarHBondContact CE-NE2 3.49Å; K111-H115 PolarHBondContact O-CD2 3.16Å; K111-H115 PolarHBondContact O-N 2.94Å; V112-H115 PolarHBondContact O-N 2.98Å; H115-L118 PolarHBondContact O-N 3.48Å; H115-S119 WeakPolarHBondContact O-CB 3.43Å; H115-S119 PolarHBondContact O-N 2.88Å
116T93.6Very high91Very high83 Ų8396 Ų9651%0.50952%0.515SS..Hα-helixtrans-65.7-41.5177.149.70000111.8V112 K113 A114 S119 Y120V112-T116 HydrophobicContact CG1-CG2 4.14Å; V112-T116 WeakPolarHBondContact O-CB 3.49Å; V112-T116 VanDerWaalsContact O-CG2 3.31Å; V112-T116 WeakPolarHBondContact O-CG2 3.36Å; V112-T116 PolarHBondContact O-N 3.28Å; V112-T116 PolarHBondContact O-OG1 3.44Å; K113-T116 WeakPolarHBondContact CA-OG1 3.15Å; K113-T116 PolarHBondContact O-OG1 3.01Å; A114-T116 PolarHBondContact O-N 3.31Å; T116-S119 PolarHBondContact O-N 3.35Å; T116-Y120 WeakPolarHBondContact O-CB 3.25Å; T116-Y120 PolarHBondContact O-N 3.26Å
117Q95.5Very high92.1Very high104 Ų10496.6 Ų96.649%0.48650%0.501SS..Hα-helixtrans-62.9-45173.8-74.4178.6-29.600111.9K113 A114 Y120 L121K113-Q117 WeakPolarHBondContact O-CB 3.42Å; K113-Q117 WeakPolarHBondContact O-CG 3.24Å; K113-Q117 PolarHBondContact O-N 3.05Å; A114-Q117 PolarHBondContact O-N 3.26Å; Q117-Y120 PolarHBondContact O-N 3.38Å; Q117-L121 WeakPolarHBondContact O-CG 3.31Å; Q117-L121 PolarHBondContact O-N 3.03Å
118L95.4Very high93Very high107 Ų10795.3 Ų95.356%0.5649%0.494SS*.Hα-helixtrans-61.4-45.8177-73172.9000111.8A114 H115 Y120 L121 E122A114-L118 WeakPolarHBondContact O-CB 2.86Å; A114-L118 VanDerWaalsContact O-CG 3.3Å; A114-L118 WeakPolarHBondContact O-CG 3.18Å; A114-L118 PolarHBondContact O-N 3.12Å; H115-L118 PolarHBondContact O-N 3.48Å; L118-Y120 VanDerWaalsContact C-N 3.31Å; L118-Y120 PolarHBondContact O-N 2.84Å; L118-L121 PolarHBondContact O-N 3.15Å; L118-E122 WeakPolarHBondContact O-CB 3.37Å; L118-E122 PolarHBondContact O-N 2.89Å
119S96.1Very high93.3Very high56 Ų5696.7 Ų96.739%0.39250%0.495SS..Hα-helixtrans-61.4-39.5176.8179.90000112.1H115 T116 E122 N123H115-S119 WeakPolarHBondContact O-CB 3.43Å; H115-S119 PolarHBondContact O-N 2.88Å; T116-S119 PolarHBondContact O-N 3.35Å; S119-E122 PolarHBondContact O-N 3.48Å; S119-N123 WeakPolarHBondContact O-CB 3.15Å; S119-N123 PolarHBondContact O-N 2.92Å; S119-N123 PolarHBondContact O-ND2 3.22Å
120Y96.7Very high93.4Very high149 Ų14996.1 Ų96.158%0.58449%0.493SS*.Hα-helixtrans-62.3-45.4174.7176.7-106.5000112.1T116 Q117 L118 N123 L124T116-Y120 WeakPolarHBondContact O-CB 3.25Å; T116-Y120 PolarHBondContact O-N 3.26Å; Q117-Y120 PolarHBondContact O-N 3.38Å; L118-Y120 VanDerWaalsContact C-N 3.31Å; L118-Y120 PolarHBondContact O-N 2.84Å; Y120-N123 PolarHBondContact O-N 2.94Å; Y120-L124 HydrophobicContact CD1-CD1 3.66Å; Y120-L124 HydrophobicContact CD1-CG 4.45Å; Y120-L124 HydrophobicContact CE1-CD1 3.15Å; Y120-L124 HydrophobicContact CE1-CG 4.08Å; Y120-L124 HydrophobicContact CE2-CD1 4.14Å; Y120-L124 HydrophobicContact CE2-CG 4.2Å; Y120-L124 HydrophobicContact CG-CD1 4.35Å; Y120-L124 VanDerWaalsContact CZ-CD1 3.41Å; Y120-L124 WeakPolarHBondContact O-CB 3.4Å; Y120-L124 WeakPolarHBondContact O-CG 3.46Å; Y120-L124 PolarHBondContact O-N 2.98Å
121L95.9Very high93.3Very high108 Ų10894.9 Ų94.957%0.56548%0.482SS*.Hα-helixtrans-64.9-38.3177.3-66.7175.9000112.1Q117 L118 L124 G125Q117-L121 WeakPolarHBondContact O-CG 3.31Å; Q117-L121 PolarHBondContact O-N 3.03Å; L118-L121 PolarHBondContact O-N 3.15Å; L121-L124 HydrophobicContact CD2-CD1 4.37Å; L121-L124 PolarHBondContact O-N 3.08Å; L121-G125 PolarHBondContact O-N 3.19Å
122E94.6Very high93.5Very high129 Ų12993.7 Ų93.760%0.60348%0.481SS*.Hα-helixtrans-62.4-49.1174.6-177.6176.6-165.400111.5L118 S119 L124 G125 L126L118-E122 WeakPolarHBondContact O-CB 3.37Å; L118-E122 PolarHBondContact O-N 2.89Å; S119-E122 PolarHBondContact O-N 3.48Å; E122-L124 VanDerWaalsContact C-N 3.31Å; E122-L124 PolarHBondContact O-N 3.01Å; E122-G125 PolarHBondContact O-N 3.24Å; E122-G125 VanDerWaalsContact O-N 3.13Å; E122-L126 PolarHBondContact O-N 3.28Å
123N93.7Very high93.1Very high92 Ų9295.4 Ų95.449%0.49249%0.488SS..Hα-helixtrans-61.2-40.1177-71.8-35.4000112.1S119 Y120 L127S119-N123 WeakPolarHBondContact O-CB 3.15Å; S119-N123 PolarHBondContact O-N 2.92Å; S119-N123 PolarHBondContact O-ND2 3.22Å; Y120-N123 PolarHBondContact O-N 2.94Å; N123-L127 WeakPolarHBondContact O-CB 3.35Å; N123-L127 PolarHBondContact O-N 3.29Å
124L95.5Very high92.6Very high56 Ų5695.9 Ų95.929%0.29349%0.487SS..Hα-helixtrans-62.5-44.5173.1-80.6172.4000111.9Y120 L121 E122 L127 I128Y120-L124 HydrophobicContact CD1-CD1 3.66Å; Y120-L124 HydrophobicContact CD1-CG 4.45Å; Y120-L124 HydrophobicContact CE1-CD1 3.15Å; Y120-L124 HydrophobicContact CE1-CG 4.08Å; Y120-L124 HydrophobicContact CE2-CD1 4.14Å; Y120-L124 HydrophobicContact CE2-CG 4.2Å; Y120-L124 HydrophobicContact CG-CD1 4.35Å; Y120-L124 VanDerWaalsContact CZ-CD1 3.41Å; Y120-L124 WeakPolarHBondContact O-CB 3.4Å; Y120-L124 WeakPolarHBondContact O-CG 3.46Å; Y120-L124 PolarHBondContact O-N 2.98Å; L121-L124 HydrophobicContact CD2-CD1 4.37Å; L121-L124 PolarHBondContact O-N 3.08Å; E122-L124 VanDerWaalsContact C-N 3.31Å; E122-L124 PolarHBondContact O-N 3.01Å; L124-L127 WeakPolarHBondContact O-CB 3.42Å; L124-L127 PolarHBondContact O-N 3.34Å; L124-I128 WeakPolarHBondContact O-CG1 3.27Å; L124-I128 PolarHBondContact O-N 3.43Å
125G94.2Very high91.6Very high30 Ų30100.5 Ų100.531%0.30950%0.499SS..Hα-helixtrans-59.2-47.4176.900000112.2L121 E122 L127 I128 L129L121-G125 PolarHBondContact O-N 3.19Å; E122-G125 PolarHBondContact O-N 3.24Å; E122-G125 VanDerWaalsContact O-N 3.13Å; G125-L127 VanDerWaalsContact C-N 3.32Å; G125-L127 PolarHBondContact O-N 2.89Å; G125-I128 PolarHBondContact O-N 3.29Å; G125-L129 WeakPolarHBondContact O-CG 3.4Å; G125-L129 PolarHBondContact O-N 3.35Å
126L93.9Very high90Very high103 Ų103100.6 Ų100.654%0.53950%0.502SS..Hα-helixtrans-60.4-39.9174.7-72.1173.2000112.2E122 L129 K130E122-L126 PolarHBondContact O-N 3.28Å; L126-L129 PolarHBondContact O-N 3.38Å; L126-K130 VanDerWaalsContact O-CB 3.31Å; L126-K130 WeakPolarHBondContact O-CB 3.4Å; L126-K130 PolarHBondContact O-N 2.78Å
127L92.6Very high88.2Confident84 Ų84103.9 Ų103.944%0.4451%0.512SS..Hα-helixtrans-64.4-41.4176.5-178.863.2000111.9N123 L124 G125 K130 K131N123-L127 WeakPolarHBondContact O-CB 3.35Å; N123-L127 PolarHBondContact O-N 3.29Å; L124-L127 WeakPolarHBondContact O-CB 3.42Å; L124-L127 PolarHBondContact O-N 3.34Å; G125-L127 VanDerWaalsContact C-N 3.32Å; G125-L127 PolarHBondContact O-N 2.89Å; L127-K130 PolarHBondContact O-N 3.4Å; L127-K131 HydrophobicContact CG-CD 4.45Å; L127-K131 WeakPolarHBondContact O-CB 3.43Å; L127-K131 VanDerWaalsContact O-CG 3.29Å; L127-K131 WeakPolarHBondContact O-CG 3.35Å; L127-K131 PolarHBondContact O-N 3.44Å
128I94.3Very high86.4Confident99 Ų99103.3 Ų103.351%0.50851%0.512SS..Hα-helixtrans-63.8-48.6176.4-67.3165.9000109.8L124 G125 K130 K131 L132L124-I128 WeakPolarHBondContact O-CG1 3.27Å; L124-I128 PolarHBondContact O-N 3.43Å; G125-I128 PolarHBondContact O-N 3.29Å; I128-K130 VanDerWaalsContact C-N 3.35Å; I128-K130 PolarHBondContact O-N 3.21Å; I128-K131 WeakPolarHBondContact O-CB 3.35Å; I128-K131 PolarHBondContact O-N 3.04Å; I128-K131 VanDerWaalsContact O-N 3.11Å; I128-L132 HydrophobicContact CG2-CD1 3.97Å; I128-L132 HydrophobicContact CG2-CG 4.33Å; I128-L132 WeakPolarHBondContact O-CG 3.47Å; I128-L132 PolarHBondContact O-N 2.79Å
129L90.3Very high84.5Confident99 Ų99102.1 Ų102.152%0.51851%0.513SS..Hα-helixtrans-58.4-44.8176.7-74.2169.2000112G125 L126 K131 L132 N133G125-L129 WeakPolarHBondContact O-CG 3.4Å; G125-L129 PolarHBondContact O-N 3.35Å; L126-L129 PolarHBondContact O-N 3.38Å; L129-K131 VanDerWaalsContact C-N 3.3Å; L129-K131 PolarHBondContact O-N 3.38Å; L129-L132 PolarHBondContact O-N 3.4Å; L129-N133 WeakPolarHBondContact O-CB 3.39Å; L129-N133 PolarHBondContact O-N 2.99Å
130K90.2Very high82.2Confident160 Ų160105.6 Ų105.670%0.69653%0.527SS*.Hα-helixtrans-61.4-38.3175.9-172.2172.4-177.5174.40112.1L126 L127 I128 R134L126-K130 VanDerWaalsContact O-CB 3.31Å; L126-K130 WeakPolarHBondContact O-CB 3.4Å; L126-K130 PolarHBondContact O-N 2.78Å; L127-K130 PolarHBondContact O-N 3.4Å; I128-K130 VanDerWaalsContact C-N 3.35Å; I128-K130 PolarHBondContact O-N 3.21Å; K130-R134 PolarHBondContact O-N 2.83Å; K130-R134 VanDerWaalsContact O-N 3.13Å
131K88.9Confident79.7Confident102 Ų102105.8 Ų105.844%0.44353%0.533SS..Hα-helixtrans-68-37.9174.8-76.4177.5178.6-174.70112.4L127 I128 L129 K135L127-K131 HydrophobicContact CG-CD 4.45Å; L127-K131 WeakPolarHBondContact O-CB 3.43Å; L127-K131 VanDerWaalsContact O-CG 3.29Å; L127-K131 WeakPolarHBondContact O-CG 3.35Å; L127-K131 PolarHBondContact O-N 3.44Å; I128-K131 WeakPolarHBondContact O-CB 3.35Å; I128-K131 PolarHBondContact O-N 3.04Å; I128-K131 VanDerWaalsContact O-N 3.11Å; L129-K131 VanDerWaalsContact C-N 3.3Å; L129-K131 PolarHBondContact O-N 3.38Å; K131-K135 PolarHBondContact O-N 3.26Å
132L90.4Very high77Confident92 Ų92108 Ų10848%0.48255%0.545SS..Hα-helixtrans-71.4-44.1177.4-67.8175.2000111.7I128 L129 R134 K135 L136I128-L132 HydrophobicContact CG2-CD1 3.97Å; I128-L132 HydrophobicContact CG2-CG 4.33Å; I128-L132 WeakPolarHBondContact O-CG 3.47Å; I128-L132 PolarHBondContact O-N 2.79Å; L129-L132 PolarHBondContact O-N 3.4Å; L132-R134 VanDerWaalsContact C-N 3.29Å; L132-R134 PolarHBondContact O-N 3.21Å; L132-K135 WeakPolarHBondContact O-CB 3.33Å; L132-K135 PolarHBondContact O-N 2.92Å; L132-K135 VanDerWaalsContact O-N 3.07Å; L132-L136 PolarHBondContact O-N 3.48Å
133N84.5Confident74.5Confident99 Ų99107.2 Ų107.253%0.52955%0.549SS..Hα-helixtrans-61.2-37.4175.7-800.4000112.1L129 K135 L136 Q137L129-N133 WeakPolarHBondContact O-CB 3.39Å; L129-N133 PolarHBondContact O-N 2.99Å; N133-K135 VanDerWaalsContact C-N 3.34Å; N133-K135 PolarHBondContact O-N 2.93Å; N133-L136 PolarHBondContact O-N 3.39Å; N133-Q137 PolarHBondContact O-N 2.99Å; N133-Q137 VanDerWaalsContact O-N 3.07Å
134R82.2Confident71.7Confident113 Ų113112 Ų11243%0.42657%0.569SS.*Hα-helixtrans-61.2-42.7173.3-166.1-178.974.5-157.24.6111.7K130 L132 L136 Q137 D138K130-R134 PolarHBondContact O-N 2.83Å; K130-R134 VanDerWaalsContact O-N 3.13Å; L132-R134 VanDerWaalsContact C-N 3.29Å; L132-R134 PolarHBondContact O-N 3.21Å; R134-L136 VanDerWaalsContact C-N 3.32Å; R134-L136 PolarHBondContact O-N 3.4Å; R134-Q137 PolarHBondContact O-N 3.4Å; R134-D138 PolarHBondContact O-N 2.84Å; R134-D138 VanDerWaalsContact O-N 3.13Å
135K73.6Confident69.1Low139 Ų139115 Ų11560%0.60459%0.589SS**Hα-helixtrans-64.3-34.8176.1-74-171.9174.2-166.10113K131 L132 N133 D138 S139K131-K135 PolarHBondContact O-N 3.26Å; L132-K135 WeakPolarHBondContact O-CB 3.33Å; L132-K135 PolarHBondContact O-N 2.92Å; L132-K135 VanDerWaalsContact O-N 3.07Å; N133-K135 VanDerWaalsContact C-N 3.34Å; N133-K135 PolarHBondContact O-N 2.93Å; K135-D138 PolarHBondContact O-N 3.25Å; K135-S139 PolarHBondContact O-N 3.06Å; K135-S139 PolarHBondContact O-OG 3.24Å
136L58.7Low66.1Low109 Ų109122.4 Ų122.457%0.57162%0.616SS**Hα-helixtrans-66-39.1174.9-100.8145.8000111.7L132 N133 R134 D138 S139L132-L136 PolarHBondContact O-N 3.48Å; N133-L136 PolarHBondContact O-N 3.39Å; R134-L136 VanDerWaalsContact C-N 3.32Å; R134-L136 PolarHBondContact O-N 3.4Å; L136-D138 VanDerWaalsContact C-N 3.3Å; L136-D138 PolarHBondContact O-N 3.43Å; L136-S139 PolarHBondContact O-N 3.47Å
137Q56.2Low63.3Low152 Ų152122.5 Ų122.571%0.7163%0.625SS**Hα-helixtrans-68.6-28.4174.9-71.7-176.6-47.200113.1N133 R134 S139N133-Q137 PolarHBondContact O-N 2.99Å; N133-Q137 VanDerWaalsContact O-N 3.07Å; R134-Q137 PolarHBondContact O-N 3.4Å; Q137-S139 VanDerWaalsContact C-N 3.34Å
138D56.5Low60.4Low92 Ų92127.1 Ų127.149%0.49265%0.645SS.*Hα-helixtrans-77.8-15175.9-67.3-29.7000113R134 K135 L136R134-D138 PolarHBondContact O-N 2.84Å; R134-D138 VanDerWaalsContact O-N 3.13Å; K135-D138 PolarHBondContact O-N 3.25Å; L136-D138 VanDerWaalsContact C-N 3.3Å; L136-D138 PolarHBondContact O-N 3.43Å
139S54.9Low57.5Low82 Ų82128.2 Ų128.257%0.57366%0.655SS**Hα-helixtrans-97.2-9-176.3-72.90000115.9K135 L136 Q137K135-S139 PolarHBondContact O-N 3.06Å; K135-S139 PolarHBondContact O-OG 3.24Å; L136-S139 PolarHBondContact O-N 3.47Å; Q137-S139 VanDerWaalsContact C-N 3.34Å
140D47.6Very low54.9Low129 Ų129131.2 Ų131.269%0.6967%0.667SS**SBendtrans-96.511.2-179.6-75.5-25.2000113.9
141E45.4Very low52.6Low153 Ų153132.3 Ų132.372%0.71568%0.675SS**  trans-129.351.6178.3-62-68.7171.700111.7V143E141-V143 VanDerWaalsContact C-N 3.3Å
142D39.1Very low50.3Low153 Ų153137.7 Ų137.782%0.81870%0.698SS**  trans-93.564.4155.4-71.9-40.4000108.7
143V42.4Very low48Very low113 Ų113144 Ų14469%0.68572%0.715SS**  trans-119.5108.3161.8-179.60000107.7E141 V145E141-V143 VanDerWaalsContact C-N 3.3Å; V143-V145 PolarHBondContact O-N 2.98Å; V143-V145 VanDerWaalsContact O-N 3.1Å
144E34.2Very low46.4Very low192 Ų192146.6 Ų146.690%0.89772%0.724SS**  trans-51.9108.8173.7-74.7160.8145.200111.2
145V40.3Very low44.7Very low120 Ų120149 Ų14973%0.72774%0.74SS**  trans-125.9104.1149.5-177.30000106.9V143 S147V143-V145 PolarHBondContact O-N 2.98Å; V143-V145 VanDerWaalsContact O-N 3.1Å; V145-S147 PolarHBondContact O-N 3.49Å
146E30.9Very low43.4Very low185 Ų185151.4 Ų151.486%0.86475%0.754SS**  trans-48.4106.3169.6-64.2-179.7152.200110
147S37.2Very low43.2Very low106 Ų106149.2 Ų149.274%0.74175%0.748SS**  trans-135.289.7151.941.40000106.5V145 V149V145-S147 PolarHBondContact O-N 3.49Å; S147-V149 PolarHBondContact O-N 3.5Å
148E30.7Very low43.3Very low181 Ų181144 Ų14485%0.84673%0.731SS**  trans-40.2124.8153.8-52.3176.2158.500106.8
149V33.8Very low43.5Very low121 Ų121145.7 Ų145.773%0.73374%0.739SS**SBend-172.212471.6167.30000107.1S147S147-V149 PolarHBondContact O-N 3.5Å
150E36.2Very low43.5Very low163 Ų163148.7 Ų148.776%0.76275%0.749SS**SBendtrans56.167155-64.7-84.1167.100119.8
151E41.7Very low44.3Very low183 Ų183149.5 Ų149.586%0.85575%0.746SS**  trans-132.716.3157.1-75.6-166167.800114.6R153E151-R153 PolarHBondContact O-N 3.02Å
152K39.4Very low45.9Very low215 Ų215151 Ų15194%0.93575%0.75SS**THydrogen-bonded Turntrans-90.339.4-178-68.4-167.8178-176.20115.4
153R42.8Very low48.2Very low225 Ų225153.2 Ų153.285%0.84975%0.748SS**THydrogen-bonded Turntrans-12313.8171.1-74.6-169.1-175.4163.66.4115.9E151E151-R153 PolarHBondContact O-N 3.02Å
154E50.3Low50.1Low152 Ų152154.4 Ų154.471%0.7175%0.749SS**SBendtrans-101.7-19.8-176-61.1-152.3155.900115.8S157E154-S157 PolarHBondContact O-OG 2.93Å
155Q46.6Very low52.6Low163 Ų163148.1 Ų148.176%0.76273%0.73SS**SBendtrans-82.4-29.8-165.6-68.7-177.6-11.500115.8
156E47.6Very low54.8Low191 Ų191147.2 Ų147.289%0.89373%0.727SS**G310 helixtrans-81.3-17.8178.4-74.9-167.1148.900114.3A158E156-A158 VanDerWaalsContact C-N 3.27Å; E156-A158 PolarHBondContact O-N 3.35Å
157S54.1Low57.4Low63 Ų63147.2 Ų147.244%0.44172%0.724SS.*G310 helixtrans-76.2-11.3-178.172.40000114E154 L159 K161E154-S157 PolarHBondContact O-OG 2.93Å; S157-L159 PolarHBondContact O-N 3.33Å; S157-K161 WeakPolarHBondContact O-CE 3.46Å; S157-K161 WeakPolarHBondContact O-CG 3.34Å; S157-K161 WeakPolarHBondContact OG-CE 3.37Å; S157-K161 PolarHBondContact OG-NZ 2.93Å
158A58.5Low59.5Low43 Ų43150.4 Ų150.436%0.35573%0.732SS.*G310 helixtrans-74.6-19-169.200000115.3E156E156-A158 VanDerWaalsContact C-N 3.27Å; E156-A158 PolarHBondContact O-N 3.35Å
159L60.5Low62Low126 Ų126149.5 Ų149.566%0.6673%0.73SS**G310 helixtrans-80.2-24.5-175.2-66.5174.7000113.6S157S157-L159 PolarHBondContact O-N 3.33Å
160N54Low64.5Low146 Ų146148.7 Ų148.778%0.78174%0.735SS**G310 helixtrans-123.631.1-175.1-73.4-5000113.7K162N160-K162 VanDerWaalsContact C-N 3.26Å; N160-K162 PolarHBondContact O-N 3.49Å
161K64.3Low66.9Low145 Ų145147 Ų14763%0.6374%0.737SS**  trans-75.179.5174.1-59.6-172.9178175.20110.2S157 Y163S157-K161 WeakPolarHBondContact O-CE 3.46Å; S157-K161 WeakPolarHBondContact O-CG 3.34Å; S157-K161 WeakPolarHBondContact OG-CE 3.37Å; S157-K161 PolarHBondContact OG-NZ 2.93Å; K161-Y163 PolarHBondContact O-N 2.91Å
162K80Confident68.9Low186 Ų186143.9 Ų143.981%0.80973%0.732SS**  trans-58.1133167-76.8171.6177.7176.10108.6N160 I164N160-K162 VanDerWaalsContact C-N 3.26Å; N160-K162 PolarHBondContact O-N 3.49Å; K162-I164 PolarHBondContact O-N 2.75Å
163Y87.6Confident70.8Confident199 Ų199142.6 Ų142.678%0.7872%0.723SS**  trans-58.4121.4174.4176.7-94.9000109.5K161 A165K161-Y163 PolarHBondContact O-N 2.91Å; Y163-A165 HydrophobicContact CE1-CB 4.04Å
164I82.1Confident72.5Confident137 Ų137139.1 Ų139.170%0.70372%0.719SS**  trans-112.4116.5171.2-60.7173.9000106K162K162-I164 PolarHBondContact O-N 2.75Å
165A87.2Confident73.5Confident61 Ų61137.1 Ų137.150%0.50471%0.71SS.*  trans-56132.3178.300000109.6Y163 K167Y163-A165 HydrophobicContact CE1-CB 4.04Å; A165-K167 PolarHBondContact O-N 3.07Å
166P85Confident74.3Confident100 Ų100133.2 Ų133.265%0.64970%0.699SS**  trans-60.7127.5-176.420.9-30.1000110.3L168P166-L168 PolarHBondContact O-N 3.01Å
167K86.1Confident75.2Confident186 Ų186134.1 Ų134.181%0.80970%0.7SS**  trans-74.5106.8178.2-64.3-179.4-179.1179.80108.3A165 M169A165-K167 PolarHBondContact O-N 3.07Å; K167-M169 PolarHBondContact O-N 3.13Å
168L81.5Confident76Confident173 Ų173136.1 Ų136.191%0.90671%0.706SS**  trans-65.3118.4173.3-62.5174.9000108.8P166P166-L168 PolarHBondContact O-N 3.01Å
169M83Confident76.7Confident162 Ų162140.8 Ų140.880%0.79871%0.714SS**  trans-114.1145.9167.6-62.6-163.676.900108.7K167 T171K167-M169 PolarHBondContact O-N 3.13Å; M169-T171 PolarHBondContact O-N 2.85Å
170A85.8Confident77.2Confident103 Ų103141.2 Ų141.285%0.85171%0.713SS**  trans-61.8107.217600000109.3P172A170-P172 WeakPolarHBondContact O-CD 3.38Å
171T87Confident78Confident129 Ų129136.9 Ų136.979%0.79169%0.691SS**  trans-77.1115171.149.80000108.1M169 Y173M169-T171 PolarHBondContact O-N 2.85Å; T171-Y173 PolarHBondContact O-N 3.3Å
172P83.2Confident78.4Confident117 Ų117133.4 Ų133.476%0.7668%0.677SS**  trans-61.3128.7-179.923.8-31.8000109.9A170 I174A170-P172 WeakPolarHBondContact O-CD 3.38Å; P172-I174 PolarHBondContact O-N 3.31Å
173Y79.3Confident78.1Confident188 Ų188129.6 Ų129.674%0.73766%0.658SS**  trans-68118.8179.1179.6-104.2000110.1T171 E175T171-Y173 PolarHBondContact O-N 3.3Å; Y173-E175 HydrophobicContact CD1-CG 4.1Å; Y173-E175 HydrophobicContact CE1-CB 4.44Å; Y173-E175 HydrophobicContact CE1-CG 3.82Å
174I79.4Confident77.1Confident152 Ų152124.7 Ų124.778%0.77964%0.643SS**  trans-89.8107.5173.5-56.2172.3000107.2P172P172-I174 PolarHBondContact O-N 3.31Å
175E70.1Confident76.6Confident109 Ų109123.9 Ų123.951%0.50963%0.631SS.*  trans-55.6130.6172.8-75.2179.3177.100109.7Y173 K177 R179Y173-E175 HydrophobicContact CD1-CG 4.1Å; Y173-E175 HydrophobicContact CE1-CB 4.44Å; Y173-E175 HydrophobicContact CE1-CG 3.82Å; E175-K177 PolarHBondContact O-N 3.42Å; E175-R179 VanDerWaalsContact OE2-CD 3.29Å; E175-R179 WeakPolarHBondContact OE2-CD 3.41Å; E175-R179 IonicContact OE2-NE 3.52Å
176P63.6Low75.9Confident82 Ų82129.2 Ų129.253%0.53264%0.638SS.*  trans-58.6138.5173.324.3-32.4000109.4N178 R179P176-N178 PolarHBondContact O-N 3.4Å; P176-R179 PolarHBondContact O-N 2.92Å
177K66.6Low75.3Confident209 Ų209132.1 Ų132.191%0.90964%0.636SS**SBendtrans-48.3-27.2-170.2-67.8-177.1177.3-178.30114.4E175 R179E175-K177 PolarHBondContact O-N 3.42Å; K177-R179 VanDerWaalsContact C-N 3.27Å; K177-R179 PolarHBondContact O-N 3.46Å; K177-R179 VanDerWaalsContact O-N 3.09Å
178N71.9Confident74.6Confident106 Ų106124.9 Ų124.957%0.56761%0.606SS**  trans-88.453.2-176.7-59.9-12.1000112.5P176 E180 V181 E182P176-N178 PolarHBondContact O-N 3.4Å; N178-E180 PolarHBondContact O-N 3.07Å; N178-V181 HydrophobicContact CB-CB 4.15Å; N178-V181 HydrophobicContact CB-CG2 3.88Å; N178-V181 WeakPolarHBondContact O-CB 3.36Å; N178-V181 PolarHBondContact O-N 3.17Å; N178-E182 PolarHBondContact O-N 3.04Å
179R73.5Confident74.1Confident140 Ų140120.1 Ų120.153%0.52858%0.58SS.*Hα-helixtrans-53.3-29.9178.8-170.4177.7173.8-158.71.8113.1E175 P176 K177 R183E175-R179 VanDerWaalsContact OE2-CD 3.29Å; E175-R179 WeakPolarHBondContact OE2-CD 3.41Å; E175-R179 IonicContact OE2-NE 3.52Å; P176-R179 PolarHBondContact O-N 2.92Å; K177-R179 VanDerWaalsContact C-N 3.27Å; K177-R179 PolarHBondContact O-N 3.46Å; K177-R179 VanDerWaalsContact O-N 3.09Å; R179-R183 VanDerWaalsContact NE-NH2 3.18Å; R179-R183 WeakPolarHBondContact O-CG 3.42Å; R179-R183 PolarHBondContact O-N 3.27Å; R179-R183 VanDerWaalsContact O-N 3.08Å
180E69.5Low73.8Confident136 Ų136118.6 Ų118.664%0.63658%0.575SS**Hα-helixtrans-68.6-40.4177.3-64.6178.9175.300112.7N178 E182 R183 M184N178-E180 PolarHBondContact O-N 3.07Å; E180-E182 VanDerWaalsContact C-N 3.31Å; E180-E182 PolarHBondContact O-N 2.93Å; E180-R183 PolarHBondContact O-N 2.91Å; E180-M184 WeakPolarHBondContact O-CB 3.29Å; E180-M184 WeakPolarHBondContact O-CG 3.46Å; E180-M184 PolarHBondContact O-N 3.36Å
181V72.2Confident73.5Confident54 Ų54115 Ų11533%0.32754%0.543SS..Hα-helixtrans-63.8-41.1177.4179.60000110N178 M184 R185N178-V181 HydrophobicContact CB-CB 4.15Å; N178-V181 HydrophobicContact CB-CG2 3.88Å; N178-V181 WeakPolarHBondContact O-CB 3.36Å; N178-V181 PolarHBondContact O-N 3.17Å; V181-M184 PolarHBondContact O-N 3.37Å; V181-R185 WeakPolarHBondContact O-CB 3.31Å; V181-R185 PolarHBondContact O-N 3.3Å
182E71.2Confident73.2Confident72 Ų72112.7 Ų112.734%0.33653%0.532SS..Hα-helixtrans-70.6-35.2178.4-16159.2-158.500112.2N178 E180 R185 R186N178-E182 PolarHBondContact O-N 3.04Å; E180-E182 VanDerWaalsContact C-N 3.31Å; E180-E182 PolarHBondContact O-N 2.93Å; E182-R185 PolarHBondContact O-N 3.46Å; E182-R185 IonicContact OE1-NH1 3.77Å; E182-R185 IonicContact OE2-NH1 3.75Å; E182-R186 WeakPolarHBondContact O-CG 3.42Å; E182-R186 PolarHBondContact O-N 3.4Å
183R74.9Confident72.9Confident106 Ų106111.7 Ų111.740%0.452%0.518SS..Hα-helixtrans-63.9-42.1170.3-72.9-178.3-141.5156.95.1111.7R179 E180 R186 R187R179-R183 VanDerWaalsContact NE-NH2 3.18Å; R179-R183 WeakPolarHBondContact O-CG 3.42Å; R179-R183 PolarHBondContact O-N 3.27Å; R179-R183 VanDerWaalsContact O-N 3.08Å; E180-R183 PolarHBondContact O-N 2.91Å; R183-R186 PolarHBondContact O-N 3.48Å; R183-R187 WeakPolarHBondContact O-CG 3.39Å; R183-R187 PolarHBondContact O-N 2.8Å; R183-R187 VanDerWaalsContact O-N 3.08Å
184M66.2Low73.1Confident96 Ų96105 Ų10547%0.47350%0.495SS..Hα-helixtrans-63.3-46.1175.3-76.3-168.8-78.400110.4E180 V181 R186 R187 I188E180-M184 WeakPolarHBondContact O-CB 3.29Å; E180-M184 WeakPolarHBondContact O-CG 3.46Å; E180-M184 PolarHBondContact O-N 3.36Å; V181-M184 PolarHBondContact O-N 3.37Å; M184-R186 VanDerWaalsContact C-N 3.34Å; M184-R186 PolarHBondContact O-N 3.15Å; M184-R187 CarbonylContact O-C 3.5Å; M184-R187 WeakPolarHBondContact O-CA 3.42Å; M184-R187 WeakPolarHBondContact O-CB 3.32Å; M184-R187 PolarHBondContact O-N 2.87Å; M184-I188 HydrophobicContact CB-CD1 4.32Å; M184-I188 WeakPolarHBondContact O-CB 3.43Å; M184-I188 WeakPolarHBondContact O-CG1 3.26Å; M184-I188 PolarHBondContact O-N 3.49Å
185R70.7Confident73.2Confident121 Ų121102.7 Ų102.746%0.45748%0.481SS..Hα-helixtrans-53.2-50.1174.6-173.4-176.9-178.1179.42.4111.5V181 E182 R187 I188 M189V181-R185 WeakPolarHBondContact O-CB 3.31Å; V181-R185 PolarHBondContact O-N 3.3Å; E182-R185 PolarHBondContact O-N 3.46Å; E182-R185 IonicContact OE1-NH1 3.77Å; E182-R185 IonicContact OE2-NH1 3.75Å; R185-R187 VanDerWaalsContact C-N 3.29Å; R185-R187 PolarHBondContact O-N 3.3Å; R185-I188 PolarHBondContact O-N 2.83Å; R185-M189 HydrophobicContact CG-CG 4.25Å; R185-M189 WeakPolarHBondContact O-CB 3.49Å; R185-M189 WeakPolarHBondContact O-CG 3.26Å; R185-M189 PolarHBondContact O-N 3.2Å
186R73.9Confident73.9Confident172 Ų172101.5 Ų101.565%0.64948%0.478SS*.Hα-helixtrans-58.9-39.3176.8-71.1177.8-171.9-1692.2112.4E182 R183 M184 N190E182-R186 WeakPolarHBondContact O-CG 3.42Å; E182-R186 PolarHBondContact O-N 3.4Å; R183-R186 PolarHBondContact O-N 3.48Å; M184-R186 VanDerWaalsContact C-N 3.34Å; M184-R186 PolarHBondContact O-N 3.15Å; R186-N190 PolarHBondContact O-N 3.4Å; R186-N190 PolarHBondContact O-ND2 3.09Å; R186-N190 PolarHBondContact O-OD1 3.38Å
187R72.3Confident74.9Confident161 Ų161101.6 Ų101.661%0.60847%0.474SS*.Hα-helixtrans-70.4-43.4177.2-69.3173.3-172.61721.2112.4R183 M184 R185 N190R183-R187 WeakPolarHBondContact O-CG 3.39Å; R183-R187 PolarHBondContact O-N 2.8Å; R183-R187 VanDerWaalsContact O-N 3.08Å; M184-R187 CarbonylContact O-C 3.5Å; M184-R187 WeakPolarHBondContact O-CA 3.42Å; M184-R187 WeakPolarHBondContact O-CB 3.32Å; M184-R187 PolarHBondContact O-N 2.87Å; R185-R187 VanDerWaalsContact C-N 3.29Å; R185-R187 PolarHBondContact O-N 3.3Å; R187-N190 PolarHBondContact O-N 3.48Å
188I71.1Confident75.7Confident35 Ų3597.1 Ų97.118%0.17945%0.454CS..Hα-helixtrans-63.5-46.7-180-66.6166.9000110.1M184 R185 N190 T191 L194 V257M184-I188 HydrophobicContact CB-CD1 4.32Å; M184-I188 WeakPolarHBondContact O-CB 3.43Å; M184-I188 WeakPolarHBondContact O-CG1 3.26Å; M184-I188 PolarHBondContact O-N 3.49Å; R185-I188 PolarHBondContact O-N 2.83Å; I188-N190 PolarHBondContact O-N 3.14Å; I188-T191 WeakPolarHBondContact O-CB 3.29Å; I188-T191 WeakPolarHBondContact O-CG2 3.35Å; I188-T191 PolarHBondContact O-N 3.35Å; I188-T191 PolarHBondContact O-OG1 2.81Å; I188-L194 HydrophobicContact CG2-CD2 3.56Å; I188-V257 HydrophobicContact CB-CG2 4.48Å; I188-V257 HydrophobicContact CG1-CG2 3.99Å; I188-V257 HydrophobicContact CG2-CG1 4.03Å; I188-V257 HydrophobicContact CG2-CG2 4.08Å
189M70.4Confident76.2Confident73 Ų7396.2 Ų96.236%0.3645%0.45SS..Hα-helixtrans-60.3-25.5176.8-68.2-62.6-70.100113.4R185 L194R185-M189 HydrophobicContact CG-CG 4.25Å; R185-M189 WeakPolarHBondContact O-CB 3.49Å; R185-M189 WeakPolarHBondContact O-CG 3.26Å; R185-M189 PolarHBondContact O-N 3.2Å; M189-L194 HydrophobicContact SD-CD2 3.75Å; M189-L194 HydrophobicContact SD-CG 4.41Å
190N76.1Confident76.9Confident130 Ų13096.4 Ų96.470%0.69546%0.456SS*.THydrogen-bonded Turntrans-91.77.5179.6-64.8-5.1000113.2R186 R187 I188R186-N190 PolarHBondContact O-N 3.4Å; R186-N190 PolarHBondContact O-ND2 3.09Å; R186-N190 PolarHBondContact O-OD1 3.38Å; R187-N190 PolarHBondContact O-N 3.48Å; I188-N190 PolarHBondContact O-N 3.14Å
191T81.3Confident77.8Confident26 Ų2699 Ų9916%0.1646%0.461CS..SBendtrans-79.7145.2172.663.90000110.5I188 M193 L194 Q195 L254I188-T191 WeakPolarHBondContact O-CB 3.29Å; I188-T191 WeakPolarHBondContact O-CG2 3.35Å; I188-T191 PolarHBondContact O-N 3.35Å; I188-T191 PolarHBondContact O-OG1 2.81Å; T191-M193 PolarHBondContact O-N 2.87Å; T191-L194 PolarHBondContact O-N 3.2Å; T191-Q195 WeakPolarHBondContact O-CB 3.26Å; T191-Q195 PolarHBondContact O-N 2.84Å; T191-L254 HydrophobicContact CG2-CD2 4.42Å
192S78.8Confident78.4Confident82 Ų8298.8 Ų98.857%0.57346%0.463SS*.Hα-helixtrans-58.9-46.9-175.457.80000112.9L194 Q195 D196S192-L194 VanDerWaalsContact C-N 3.33Å; S192-L194 PolarHBondContact O-N 3.41Å; S192-Q195 WeakPolarHBondContact O-CB 3.48Å; S192-Q195 PolarHBondContact O-N 2.74Å; S192-Q195 VanDerWaalsContact O-N 3.13Å; S192-D196 PolarHBondContact O-N 3.38Å
193M78.8Confident79Confident95 Ų95104.8 Ų104.847%0.46849%0.491SS..Hα-helixtrans-59.3-41.8180-66.8-159.5-60.100112.9T191 Q195 D196 L197 L254 F258T191-M193 PolarHBondContact O-N 2.87Å; M193-Q195 VanDerWaalsContact C-N 3.34Å; M193-D196 PolarHBondContact O-N 3.23Å; M193-L197 WeakPolarHBondContact O-CG 3.41Å; M193-L197 PolarHBondContact O-N 3.47Å; M193-L254 HydrophobicContact CE-CD1 4.4Å; M193-L254 HydrophobicContact CE-CD2 4.35Å; M193-F258 HydrophobicContact CE-CZ 4.31Å
194L82Confident79.4Confident49 Ų49102.9 Ų102.926%0.25750%0.497SS..Hα-helixtrans-75.2-28.9-179.8-17056.8000111.8I188 M189 T191 S192 L197 K198I188-L194 HydrophobicContact CG2-CD2 3.56Å; M189-L194 HydrophobicContact SD-CD2 3.75Å; M189-L194 HydrophobicContact SD-CG 4.41Å; T191-L194 PolarHBondContact O-N 3.2Å; S192-L194 VanDerWaalsContact C-N 3.33Å; S192-L194 PolarHBondContact O-N 3.41Å; L194-L197 HydrophobicContact CD1-CD1 4.47Å; L194-K198 VanDerWaalsContact O-CB 3.24Å; L194-K198 WeakPolarHBondContact O-CB 3.5Å; L194-K198 PolarHBondContact O-N 3.06Å
195Q82.3Confident80.2Confident102 Ų102103.8 Ų103.848%0.47751%0.51SS..Hα-helixtrans-65.7-43171.5-174.7173.5-5.500111.3T191 S192 M193 K198 N199T191-Q195 WeakPolarHBondContact O-CB 3.26Å; T191-Q195 PolarHBondContact O-N 2.84Å; S192-Q195 WeakPolarHBondContact O-CB 3.48Å; S192-Q195 PolarHBondContact O-N 2.74Å; S192-Q195 VanDerWaalsContact O-N 3.13Å; M193-Q195 VanDerWaalsContact C-N 3.34Å; Q195-K198 WeakPolarHBondContact O-CB 3.43Å; Q195-K198 PolarHBondContact O-N 2.91Å; Q195-N199 PolarHBondContact O-N 3.18Å; Q195-N199 PolarHBondContact O-ND2 3.06Å; Q195-N199 PolarHBondContact O-OD1 3.19Å
196D84.9Confident80.4Confident85 Ų85106.2 Ų106.246%0.45553%0.527SS..Hα-helixtrans-65.4-44.4176.8-64-20.2000111.4S192 M193 K198 N199 Q200S192-D196 PolarHBondContact O-N 3.38Å; M193-D196 PolarHBondContact O-N 3.23Å; D196-K198 VanDerWaalsContact C-N 3.33Å; D196-K198 PolarHBondContact O-N 2.96Å; D196-N199 PolarHBondContact O-N 3.44Å; D196-N199 VanDerWaalsContact O-N 3.17Å; D196-Q200 WeakPolarHBondContact O-CG 3.39Å; D196-Q200 PolarHBondContact O-N 2.94Å
197L85.1Confident80.6Confident83 Ų83106.2 Ų106.244%0.43553%0.534SS..Hα-helixtrans-61-42.3173.6-72.1174.1000111.6M193 L194 N199 Q200 Y201M193-L197 WeakPolarHBondContact O-CG 3.41Å; M193-L197 PolarHBondContact O-N 3.47Å; L194-L197 HydrophobicContact CD1-CD1 4.47Å; L197-N199 VanDerWaalsContact C-N 3.28Å; L197-N199 PolarHBondContact O-N 3.17Å; L197-Q200 PolarHBondContact O-N 2.91Å; L197-Y201 HydrophobicContact CD2-CE2 4.21Å; L197-Y201 WeakPolarHBondContact O-CD2 3.31Å; L197-Y201 PolarHBondContact O-N 2.91Å
198K82.2Confident80.7Confident116 Ų116105.6 Ų105.650%0.50454%0.542SS..Hα-helixtrans-57.8-45.1174.7179.5-170170.3-161.60110L194 Q195 D196 S202L194-K198 VanDerWaalsContact O-CB 3.24Å; L194-K198 WeakPolarHBondContact O-CB 3.5Å; L194-K198 PolarHBondContact O-N 3.06Å; Q195-K198 WeakPolarHBondContact O-CB 3.43Å; Q195-K198 PolarHBondContact O-N 2.91Å; D196-K198 VanDerWaalsContact C-N 3.33Å; D196-K198 PolarHBondContact O-N 2.96Å; K198-S202 WeakPolarHBondContact O-CA 3.5Å; K198-S202 WeakPolarHBondContact O-CB 3.38Å; K198-S202 PolarHBondContact O-N 3.18Å
199N83.6Confident80.9Confident87 Ų87108.7 Ų108.747%0.46556%0.558SS.*Hα-helixtrans-68.1-36.3-179.1-64.9-10.8000112.5Q195 D196 L197Q195-N199 PolarHBondContact O-N 3.18Å; Q195-N199 PolarHBondContact O-ND2 3.06Å; Q195-N199 PolarHBondContact O-OD1 3.19Å; D196-N199 PolarHBondContact O-N 3.44Å; D196-N199 VanDerWaalsContact O-N 3.17Å; L197-N199 VanDerWaalsContact C-N 3.28Å; L197-N199 PolarHBondContact O-N 3.17Å
200Q87.7Confident80.9Confident144 Ų144113.9 Ų113.967%0.67358%0.581SS**Hα-helixtrans-70.3-35178.9-71.7172.638.200113.4D196 L197D196-Q200 WeakPolarHBondContact O-CG 3.39Å; D196-Q200 PolarHBondContact O-N 2.94Å; L197-Q200 PolarHBondContact O-N 2.91Å
201Y88.2Confident80.6Confident189 Ų189111.5 Ų111.574%0.74159%0.587SS**Hα-helixtrans-100.3-20.6-177.1-73.9-83000113.6L197L197-Y201 HydrophobicContact CD2-CE2 4.21Å; L197-Y201 WeakPolarHBondContact O-CD2 3.31Å; L197-Y201 PolarHBondContact O-N 2.91Å
202S84.3Confident80Confident51 Ų51114.6 Ų114.636%0.35760%0.6SS.*  trans-83.9122.4177.7-167.70000110K198 A204K198-S202 WeakPolarHBondContact O-CA 3.5Å; K198-S202 WeakPolarHBondContact O-CB 3.38Å; K198-S202 PolarHBondContact O-N 3.18Å; S202-A204 PolarHBondContact O-N 3.15Å; S202-A204 WeakPolarHBondContact OG-CB 3.49Å; S202-A204 PolarHBondContact OG-N 3.18Å
203Q84.1Confident79.9Confident198 Ų198113.9 Ų113.993%0.92560%0.595SS**  trans-83.210.6170.5-59.6176.317.200112
204A83.6Confident79.9Confident65 Ų65116.5 Ų116.554%0.53761%0.61SS.*PPolyproline II helixtrans-67.7129.1177.800000109S202S202-A204 PolarHBondContact O-N 3.15Å; S202-A204 WeakPolarHBondContact OG-CB 3.49Å; S202-A204 PolarHBondContact OG-N 3.18Å
205P83.6Confident80.1Confident115 Ų115120.9 Ų120.975%0.74763%0.631SS**PPolyproline II helixtrans-60.3143.917826-33.8000110.3E207P205-E207 PolarHBondContact O-N 3.11Å
206E75.2Confident80.2Confident173 Ų173122.6 Ų122.681%0.80864%0.637SS**PPolyproline II helixtrans-64.5120.9176.8-67.2-176173.500110.1I208E206-I208 PolarHBondContact O-N 3.13Å
207E76.4Confident80.2Confident171 Ų171123.1 Ų123.180%0.79964%0.636SS**  trans-72.399179.2-68.1178.7-164.600110.1P205 I209P205-E207 PolarHBondContact O-N 3.11Å; E207-I209 HydrophobicContact CB-CG1 4.49Å; E207-I209 PolarHBondContact O-N 3.48Å; E207-I209 VanDerWaalsContact O-N 3.09Å
208I76.3Confident80.3Confident149 Ų149127.4 Ų127.476%0.76465%0.647SS**  trans-77.793.6169.9-54172.7000107.8E206 E210E206-I208 PolarHBondContact O-N 3.13Å; I208-E210 PolarHBondContact O-N 3.14Å; I208-E210 VanDerWaalsContact O-N 3.14Å
209I74Confident80.6Confident100 Ų100126.9 Ų126.951%0.51365%0.646SS.*  trans-78.698.8176.5-55.3169000108.8E207 G211 Q212E207-I209 HydrophobicContact CB-CG1 4.49Å; E207-I209 PolarHBondContact O-N 3.48Å; E207-I209 VanDerWaalsContact O-N 3.09Å; I209-G211 PolarHBondContact O-N 3.46Å; I209-Q212 HydrophobicContact CB-CG 4.1Å; I209-Q212 HydrophobicContact CG2-CG 3.97Å
210E70Confident80.8Confident182 Ų182126.6 Ų126.685%0.8564%0.644SS**THydrogen-bonded Turntrans-67.8120.5165.8-62.9-179.6-179.900108.9I208I208-E210 PolarHBondContact O-N 3.14Å; I208-E210 VanDerWaalsContact O-N 3.14Å
211G71.1Confident81Confident80 Ų80122.8 Ų122.883%0.82563%0.628SS**THydrogen-bonded Turntrans113.810.5178.200000116.6I209I209-G211 PolarHBondContact O-N 3.46Å
212Q67.4Low81.1Confident90 Ų90118.2 Ų118.242%0.42161%0.613SS.*  trans-63.8145.9169.1-62.8-170.930.400111.2I209 L214I209-Q212 HydrophobicContact CB-CG 4.1Å; I209-Q212 HydrophobicContact CG2-CG 3.97Å; Q212-L214 PolarHBondContact O-N 3.41Å; Q212-L214 VanDerWaalsContact O-N 3.15Å
213S76.6Confident81.3Confident68 Ų68120.6 Ų120.648%0.47662%0.619SS.*  trans-53123171.2177.20000109.6M215 K216 H217S213-M215 PolarHBondContact O-N 3.18Å; S213-K216 PolarHBondContact O-N 3.16Å; S213-H217 PolarHBondContact O-N 3.49Å
214L79.5Confident81.6Confident149 Ų149115.2 Ų115.278%0.7859%0.594SS**Hα-helixtrans-50.3-30.7179.8-67.1174.9000112.7Q212 R218Q212-L214 PolarHBondContact O-N 3.41Å; Q212-L214 VanDerWaalsContact O-N 3.15Å; L214-R218 WeakPolarHBondContact O-CB 3.38Å; L214-R218 PolarHBondContact O-N 3.42Å
215M85.6Confident82.1Confident142 Ų142120.4 Ų120.470%0.760%0.599SS**Hα-helixtrans-64.8-43.6176.4-66.1-61.5-177.100112.8S213 R218 E219S213-M215 PolarHBondContact O-N 3.18Å; M215-R218 PolarHBondContact O-N 3.34Å; M215-E219 PolarHBondContact O-N 3.28Å
216K84.3Confident82.4Confident138 Ų138117.5 Ų117.560%0.658%0.575SS**Hα-helixtrans-68.2-41.3179.4-68.3-176.5178.2-178.60111.5S213 R218 E219 L220S213-K216 PolarHBondContact O-N 3.16Å; K216-R218 VanDerWaalsContact C-N 3.32Å; K216-R218 PolarHBondContact O-N 3.29Å; K216-E219 PolarHBondContact O-N 2.9Å; K216-L220 PolarHBondContact O-N 3.47Å
217H84.6Confident83Confident95 Ų95112.5 Ų112.544%0.4456%0.556SS.*Hα-helixtrans-62.9-42.5177.2-17661.5000111.1S213 E219 L220 L221S213-H217 PolarHBondContact O-N 3.49Å; H217-E219 VanDerWaalsContact C-N 3.35Å; H217-E219 PolarHBondContact O-N 3.31Å; H217-L220 PolarHBondContact O-N 3.44Å; H217-L221 WeakPolarHBondContact NE2-CD1 3.28Å; H217-L221 PolarHBondContact O-N 3.25Å
218R88.4Confident83.7Confident174 Ų174108.9 Ų108.966%0.65754%0.539SS*.Hα-helixtrans-60.8-42173.5-178.4177.9173.5167.70.2112.4L214 M215 K216 L221 E222L214-R218 WeakPolarHBondContact O-CB 3.38Å; L214-R218 PolarHBondContact O-N 3.42Å; M215-R218 PolarHBondContact O-N 3.34Å; K216-R218 VanDerWaalsContact C-N 3.32Å; K216-R218 PolarHBondContact O-N 3.29Å; R218-L221 PolarHBondContact O-N 3.02Å; R218-E222 WeakPolarHBondContact O-CB 3.27Å; R218-E222 PolarHBondContact O-N 2.74Å
219E89Confident84.7Confident105 Ų105106.4 Ų106.449%0.49152%0.521SS..Hα-helixtrans-64.5-42.7177.7-172.9178.2-176.100111.9M215 K216 H217 E222 Q223M215-E219 PolarHBondContact O-N 3.28Å; K216-E219 PolarHBondContact O-N 2.9Å; H217-E219 VanDerWaalsContact C-N 3.35Å; H217-E219 PolarHBondContact O-N 3.31Å; E219-E222 PolarHBondContact O-N 2.81Å; E219-Q223 WeakPolarHBondContact O-CG 3.5Å; E219-Q223 PolarHBondContact O-N 3.2Å
220L87.3Confident85.5Confident80 Ų80104 Ų10442%0.41951%0.508SS..Hα-helixtrans-60.5-48175.9179.165.2000111.5K216 H217 E222 Q223 Q224K216-L220 PolarHBondContact O-N 3.47Å; H217-L220 PolarHBondContact O-N 3.44Å; L220-E222 VanDerWaalsContact C-N 3.28Å; L220-E222 PolarHBondContact O-N 2.84Å; L220-Q223 PolarHBondContact O-N 3.31Å; L220-Q224 WeakPolarHBondContact O-CG 3.29Å; L220-Q224 PolarHBondContact O-N 3.4Å
221L91.2Very high86.4Confident65 Ų65101.6 Ų101.634%0.3450%0.497SS..Hα-helixtrans-58.7-39.8175.1-83.1158.3000112H217 R218 Q224 R225H217-L221 WeakPolarHBondContact NE2-CD1 3.28Å; H217-L221 PolarHBondContact O-N 3.25Å; R218-L221 PolarHBondContact O-N 3.02Å; L221-Q224 PolarHBondContact O-N 2.88Å; L221-R225 WeakPolarHBondContact O-CB 3.22Å; L221-R225 VanDerWaalsContact O-CG 3.31Å; L221-R225 WeakPolarHBondContact O-CG 3.39Å; L221-R225 PolarHBondContact O-N 3.44Å
222E91.2Very high87.6Confident93 Ų93104.6 Ų104.644%0.43549%0.489SS..Hα-helixtrans-68.8-36.1177.6-162.4-172.5140.800112R218 E219 L220 K226R218-E222 WeakPolarHBondContact O-CB 3.27Å; R218-E222 PolarHBondContact O-N 2.74Å; E219-E222 PolarHBondContact O-N 2.81Å; L220-E222 VanDerWaalsContact C-N 3.28Å; L220-E222 PolarHBondContact O-N 2.84Å; E222-K226 VanDerWaalsContact O-CG 3.26Å; E222-K226 WeakPolarHBondContact O-CG 3.41Å; E222-K226 PolarHBondContact O-N 3.11Å; E222-K226 VanDerWaalsContact OE1-CE 3.29Å; E222-K226 WeakPolarHBondContact OE1-CE 3.47Å; E222-K226 IonicContact OE1-NZ 2.74Å; E222-K226 PolarHBondContact OE1-NZ 2.81Å
223Q88.5Confident88.9Confident101 Ų101104.4 Ų104.447%0.47249%0.488SS..Hα-helixtrans-66.2-44.3173.7-71175.213.400111.4E219 L220 K226 T227E219-Q223 WeakPolarHBondContact O-CG 3.5Å; E219-Q223 PolarHBondContact O-N 3.2Å; L220-Q223 PolarHBondContact O-N 3.31Å; Q223-K226 WeakPolarHBondContact O-CB 3.26Å; Q223-K226 PolarHBondContact O-N 3.3Å; Q223-T227 PolarHBondContact O-N 2.97Å; Q223-T227 PolarHBondContact O-OG1 2.85Å
224Q90.3Very high89.8Confident85 Ų85110.3 Ų110.340%0.39751%0.505SS..Hα-helixtrans-60.2-46.5175-73.2174.6-21.900111.7L220 L221 K226 T227 E228L220-Q224 WeakPolarHBondContact O-CG 3.29Å; L220-Q224 PolarHBondContact O-N 3.4Å; L221-Q224 PolarHBondContact O-N 2.88Å; Q224-K226 PolarHBondContact O-N 3.13Å; Q224-T227 WeakPolarHBondContact CA-OG1 3.48Å; Q224-T227 PolarHBondContact O-N 3.26Å; Q224-T227 VanDerWaalsContact O-N 3.13Å; Q224-T227 PolarHBondContact O-OG1 2.94Å; Q224-E228 WeakPolarHBondContact O-CB 3.5Å; Q224-E228 VanDerWaalsContact O-CG 3.22Å; Q224-E228 WeakPolarHBondContact O-CG 3.4Å; Q224-E228 PolarHBondContact O-N 3.28Å
225R93.3Very high90.4Very high173 Ų173108.1 Ų108.165%0.65349%0.494SS*.Hα-helixtrans-60.4-34.6175.3-75.5175.5175.8-176-1.2113.1L221 Y229L221-R225 WeakPolarHBondContact O-CB 3.22Å; L221-R225 VanDerWaalsContact O-CG 3.31Å; L221-R225 WeakPolarHBondContact O-CG 3.39Å; L221-R225 PolarHBondContact O-N 3.44Å; R225-Y229 VanDerWaalsContact O-CB 3.29Å; R225-Y229 WeakPolarHBondContact O-CB 3.33Å; R225-Y229 PolarHBondContact O-N 3Å
226K90.1Very high90.6Very high54 Ų54111.7 Ų111.724%0.23550%0.499CS..Hα-helixtrans-68.1-45.1175-75.3166.8-174.3166.30110.9E222 Q223 Q224 Y229 E230 L237E222-K226 VanDerWaalsContact O-CG 3.26Å; E222-K226 WeakPolarHBondContact O-CG 3.41Å; E222-K226 PolarHBondContact O-N 3.11Å; E222-K226 VanDerWaalsContact OE1-CE 3.29Å; E222-K226 WeakPolarHBondContact OE1-CE 3.47Å; E222-K226 IonicContact OE1-NZ 2.74Å; E222-K226 PolarHBondContact OE1-NZ 2.81Å; Q223-K226 WeakPolarHBondContact O-CB 3.26Å; Q223-K226 PolarHBondContact O-N 3.3Å; Q224-K226 PolarHBondContact O-N 3.13Å; K226-Y229 PolarHBondContact O-N 2.9Å; K226-E230 WeakPolarHBondContact O-CB 3.32Å; K226-E230 VanDerWaalsContact O-CG 3.27Å; K226-E230 WeakPolarHBondContact O-CG 3.47Å; K226-E230 PolarHBondContact O-N 3.34Å; K226-L237 HydrophobicContact CG-CD1 4.42Å
227T87.8Confident90.7Very high68 Ų68108.2 Ų108.242%0.41749%0.487SS..Hα-helixtrans-63.7-45.2177.352.80000111Q223 Q224 Y229 E230 E231Q223-T227 PolarHBondContact O-N 2.97Å; Q223-T227 PolarHBondContact O-OG1 2.85Å; Q224-T227 WeakPolarHBondContact CA-OG1 3.48Å; Q224-T227 PolarHBondContact O-N 3.26Å; Q224-T227 VanDerWaalsContact O-N 3.13Å; Q224-T227 PolarHBondContact O-OG1 2.94Å; T227-Y229 VanDerWaalsContact C-N 3.33Å; T227-Y229 PolarHBondContact O-N 2.76Å; T227-E230 PolarHBondContact O-N 3.11Å; T227-E231 WeakPolarHBondContact O-CB 3.32Å; T227-E231 VanDerWaalsContact O-CG 3.28Å; T227-E231 WeakPolarHBondContact O-CG 3.35Å; T227-E231 PolarHBondContact O-N 2.95Å
228E91.7Very high90.8Very high95 Ų95114.7 Ų114.744%0.44451%0.507SS..Hα-helixtrans-56-47.6174.4-71.8164.7-175.400110.9Q224 E230 E231 E232Q224-E228 WeakPolarHBondContact O-CB 3.5Å; Q224-E228 VanDerWaalsContact O-CG 3.22Å; Q224-E228 WeakPolarHBondContact O-CG 3.4Å; Q224-E228 PolarHBondContact O-N 3.28Å; E228-E230 PolarHBondContact O-N 2.97Å; E228-E231 PolarHBondContact O-N 2.94Å; E228-E232 WeakPolarHBondContact O-CB 3.49Å; E228-E232 VanDerWaalsContact O-CG 3.26Å; E228-E232 WeakPolarHBondContact O-CG 3.34Å; E228-E232 PolarHBondContact O-N 2.83Å
229Y96.3Very high90.3Very high98 Ų98109.2 Ų109.238%0.38449%0.489SS..Hα-helixtrans-61.8-45.4176.5-177.5-87000112.5R225 K226 T227 E231 H233 L237R225-Y229 VanDerWaalsContact O-CB 3.29Å; R225-Y229 WeakPolarHBondContact O-CB 3.33Å; R225-Y229 PolarHBondContact O-N 3Å; K226-Y229 PolarHBondContact O-N 2.9Å; T227-Y229 VanDerWaalsContact C-N 3.33Å; T227-Y229 PolarHBondContact O-N 2.76Å; Y229-E231 VanDerWaalsContact C-N 3.27Å; Y229-E231 PolarHBondContact O-N 3.12Å; Y229-H233 AromaticContact CD2-CE1 3.46Å; Y229-H233 VanDerWaalsContact CD2-CE1 3.46Å; Y229-H233 WeakPolarHBondContact CD2-CE1 3.46Å; Y229-H233 AromaticContact CD2-ND1 3.42Å; Y229-H233 WeakPolarHBondContact CD2-ND1 3.45Å; Y229-H233 HydrophobicContact CE1-CB 4.29Å; Y229-H233 AromaticContact CE2-CD2 3.91Å; Y229-H233 AromaticContact CE2-CE1 3.31Å; Y229-H233 WeakPolarHBondContact CE2-CE1 3.28Å; Y229-H233 AromaticContact CE2-CG 3.83Å; Y229-H233 AromaticContact CE2-ND1 3.44Å; Y229-H233 WeakPolarHBondContact CE2-ND1 3.42Å; Y229-H233 AromaticContact CE2-NE2 3.58Å; Y229-H233 AromaticContact CG-ND1 3.81Å; Y229-H233 AromaticContact CZ-CD2 3.93Å; Y229-H233 AromaticContact CZ-CG 3.79Å; Y229-H233 AromaticContact CZ-ND1 3.85Å; Y229-H233 VanDerWaalsContact O-CB 3.28Å; Y229-H233 WeakPolarHBondContact O-CB 3.49Å; Y229-H233 PolarHBondContact O-N 3.16Å; Y229-H233 PolarHBondContact O-ND1 3.31Å; Y229-L237 HydrophobicContact CD1-CD1 3.57Å; Y229-L237 HydrophobicContact CD1-CD2 3.99Å; Y229-L237 HydrophobicContact CD1-CG 3.83Å; Y229-L237 HydrophobicContact CE1-CD1 4.17Å; Y229-L237 HydrophobicContact CE1-CD2 3.71Å; Y229-L237 HydrophobicContact CE1-CG 4.06Å; Y229-L237 HydrophobicContact CG-CD1 4.31Å
230E90.9Very high90.1Very high48 Ų48107.9 Ų107.922%0.22449%0.49CS..Hα-helixtrans-61.6-35.8178.7-71.1-174.9179.300111.9K226 T227 E228 F234 I235 L237K226-E230 WeakPolarHBondContact O-CB 3.32Å; K226-E230 VanDerWaalsContact O-CG 3.27Å; K226-E230 WeakPolarHBondContact O-CG 3.47Å; K226-E230 PolarHBondContact O-N 3.34Å; T227-E230 PolarHBondContact O-N 3.11Å; E228-E230 PolarHBondContact O-N 2.97Å; E230-F234 CarbonylContact O-C 3.57Å; E230-F234 WeakPolarHBondContact O-CA 3.26Å; E230-F234 PolarHBondContact O-N 3.17Å; E230-I235 WeakPolarHBondContact CA-O 3.28Å; E230-I235 WeakPolarHBondContact CB-O 3.42Å; E230-I235 WeakPolarHBondContact CG-O 3.13Å; E230-I235 PolarHBondContact O-N 3.46Å; E230-I235 VanDerWaalsContact O-N 3.14Å; E230-L237 HydrophobicContact CG-CB 4.25Å; E230-L237 HydrophobicContact CG-CD1 4.22Å; E230-L237 HydrophobicContact CG-CG 4.05Å; E230-L237 WeakPolarHBondContact OE1-CB 3.39Å; E230-L237 PolarHBondContact OE1-N 2.91Å
231E89.7Confident89.7Confident133 Ų133112.3 Ų112.362%0.62151%0.506SS*.Hα-helixtrans-75.6-49178.2-72.3172.9-171.400112.2T227 E228 Y229 H233 F234T227-E231 WeakPolarHBondContact O-CB 3.32Å; T227-E231 VanDerWaalsContact O-CG 3.28Å; T227-E231 WeakPolarHBondContact O-CG 3.35Å; T227-E231 PolarHBondContact O-N 2.95Å; E228-E231 PolarHBondContact O-N 2.94Å; Y229-E231 VanDerWaalsContact C-N 3.27Å; Y229-E231 PolarHBondContact O-N 3.12Å; E231-H233 VanDerWaalsContact C-N 3.3Å; E231-H233 PolarHBondContact O-N 3.18Å; E231-F234 PolarHBondContact O-N 2.85Å
232E96Very high89Confident142 Ų142112.3 Ų112.366%0.66452%0.522SS*.Hα-helixtrans-62.6-38.2179.1-73.8179.7168.900112E228E228-E232 WeakPolarHBondContact O-CB 3.49Å; E228-E232 VanDerWaalsContact O-CG 3.26Å; E228-E232 WeakPolarHBondContact O-CG 3.34Å; E228-E232 PolarHBondContact O-N 2.83Å
233H95.3Very high87.9Confident86 Ų86113 Ų11340%0.39853%0.525SS..THydrogen-bonded Turntrans-96.5-4.8-178.2-62.273.2000112.8Y229 E231 I235Y229-H233 AromaticContact CD2-CE1 3.46Å; Y229-H233 VanDerWaalsContact CD2-CE1 3.46Å; Y229-H233 WeakPolarHBondContact CD2-CE1 3.46Å; Y229-H233 AromaticContact CD2-ND1 3.42Å; Y229-H233 WeakPolarHBondContact CD2-ND1 3.45Å; Y229-H233 HydrophobicContact CE1-CB 4.29Å; Y229-H233 AromaticContact CE2-CD2 3.91Å; Y229-H233 AromaticContact CE2-CE1 3.31Å; Y229-H233 WeakPolarHBondContact CE2-CE1 3.28Å; Y229-H233 AromaticContact CE2-CG 3.83Å; Y229-H233 AromaticContact CE2-ND1 3.44Å; Y229-H233 WeakPolarHBondContact CE2-ND1 3.42Å; Y229-H233 AromaticContact CE2-NE2 3.58Å; Y229-H233 AromaticContact CG-ND1 3.81Å; Y229-H233 AromaticContact CZ-CD2 3.93Å; Y229-H233 AromaticContact CZ-CG 3.79Å; Y229-H233 AromaticContact CZ-ND1 3.85Å; Y229-H233 VanDerWaalsContact O-CB 3.28Å; Y229-H233 WeakPolarHBondContact O-CB 3.49Å; Y229-H233 PolarHBondContact O-N 3.16Å; Y229-H233 PolarHBondContact O-ND1 3.31Å; E231-H233 VanDerWaalsContact C-N 3.3Å; E231-H233 PolarHBondContact O-N 3.18Å; H233-I235 WeakPolarHBondContact O-CG1 3.32Å; H233-I235 PolarHBondContact O-N 3.01Å; H233-I235 VanDerWaalsContact O-N 3.13Å
234F94.7Very high86.8Confident192 Ų192110.2 Ų110.284%0.84252%0.516SS*.THydrogen-bonded Turntrans5032.7-175.1-59.7-84.1000113.8E230 E231E230-F234 CarbonylContact O-C 3.57Å; E230-F234 WeakPolarHBondContact O-CA 3.26Å; E230-F234 PolarHBondContact O-N 3.17Å; E231-F234 PolarHBondContact O-N 2.85Å
235I91.8Very high85.5Confident104 Ų104112.9 Ų112.953%0.53353%0.527SS..  trans-128.4126.8-177.8-67.5162.4000109.1E230 H233 L237E230-I235 WeakPolarHBondContact CA-O 3.28Å; E230-I235 WeakPolarHBondContact CB-O 3.42Å; E230-I235 WeakPolarHBondContact CG-O 3.13Å; E230-I235 PolarHBondContact O-N 3.46Å; E230-I235 VanDerWaalsContact O-N 3.14Å; H233-I235 WeakPolarHBondContact O-CG1 3.32Å; H233-I235 PolarHBondContact O-N 3.01Å; H233-I235 VanDerWaalsContact O-N 3.13Å; I235-L237 PolarHBondContact O-N 3.26Å
236R89.9Confident83.9Confident216 Ų216111 Ų11182%0.81553%0.527SS*.  trans-70.9123.4171-102.5-176.9179.9170.72.7111.2
237L87Confident82.5Confident65 Ų65112 Ų11234%0.3454%0.541SS..  trans-74.3138.7175.7-73.7169.3000110.5K226 Y229 E230 I235 Q239K226-L237 HydrophobicContact CG-CD1 4.42Å; Y229-L237 HydrophobicContact CD1-CD1 3.57Å; Y229-L237 HydrophobicContact CD1-CD2 3.99Å; Y229-L237 HydrophobicContact CD1-CG 3.83Å; Y229-L237 HydrophobicContact CE1-CD1 4.17Å; Y229-L237 HydrophobicContact CE1-CD2 3.71Å; Y229-L237 HydrophobicContact CE1-CG 4.06Å; Y229-L237 HydrophobicContact CG-CD1 4.31Å; E230-L237 HydrophobicContact CG-CB 4.25Å; E230-L237 HydrophobicContact CG-CD1 4.22Å; E230-L237 HydrophobicContact CG-CG 4.05Å; E230-L237 WeakPolarHBondContact OE1-CB 3.39Å; E230-L237 PolarHBondContact OE1-N 2.91Å; I235-L237 PolarHBondContact O-N 3.26Å; L237-Q239 PolarHBondContact O-N 3.17Å
238R86.6Confident81.2Confident231 Ų231114 Ų11487%0.87255%0.549SS*.  trans-72.1101.3176.3-175.1179.8179.5-139.35.6109.7
239Q78.2Confident79.7Confident59 Ų59113.8 Ų113.828%0.27655%0.55SS.*  trans-71.5144.7174.3-57.3-59.2-32.600111.1L237L237-Q239 PolarHBondContact O-N 3.17Å
240P84Confident78.1Confident78 Ų78111.4 Ų111.451%0.50655%0.551SS.*  trans-58.5141.2173.124.5-32.6000110G242 Q243 S244P240-G242 PolarHBondContact O-N 3.28Å; P240-Q243 HydrophobicContact CG-CG 4.32Å; P240-Q243 PolarHBondContact O-N 3.07Å; P240-S244 PolarHBondContact O-N 2.8Å
241K78.8Confident76.6Confident172 Ų172112 Ų11275%0.74856%0.564SS**Hα-helixtrans-54.2-25.3-171-68.4-174.1177.2-178.10114.1
242G76.4Confident75.2Confident66 Ų66111.7 Ų111.768%0.6857%0.567SS**Hα-helixtrans-64.3-38.3175.200000113.9P240P240-G242 PolarHBondContact O-N 3.28Å
243Q69Low73.5Confident107 Ų107109.1 Ų109.150%0.556%0.557SS.*Hα-helixtrans-87.6-35.2-177.9-67.6177.9-8.500112.2P240 K245 M246P240-Q243 HydrophobicContact CG-CG 4.32Å; P240-Q243 PolarHBondContact O-N 3.07Å; Q243-K245 PolarHBondContact O-N 3.04Å; Q243-K245 VanDerWaalsContact O-N 3.15Å; Q243-M246 PolarHBondContact O-N 2.96Å
244S65.6Low71.8Confident42 Ų42107.6 Ų107.629%0.29455%0.552SS.*Hα-helixtrans-58.8-29.8-177.2173.90000114.2P240 M246 S247 L248P240-S244 PolarHBondContact O-N 2.8Å; S244-M246 PolarHBondContact O-N 3.4Å; S244-S247 PolarHBondContact O-N 3.17Å; S244-S247 VanDerWaalsContact O-N 3.11Å; S244-L248 PolarHBondContact O-N 3.48Å
245K63.3Low70.4Confident142 Ų142105.3 Ų105.362%0.61755%0.549SS*.Hα-helixtrans-57.8-32.6178.9-70.2-175.6179.1-176.90113.3Q243 N249Q243-K245 PolarHBondContact O-N 3.04Å; Q243-K245 VanDerWaalsContact O-N 3.15Å; K245-N249 PolarHBondContact O-N 3.3Å
246M59.6Low68.9Low134 Ų134102.6 Ų102.666%0.6655%0.546SS*.Hα-helixtrans-71.3-39178.5-66.8-62.999.800111.8Q243 S244 N249 A250Q243-M246 PolarHBondContact O-N 2.96Å; S244-M246 PolarHBondContact O-N 3.4Å; M246-N249 PolarHBondContact O-N 3.42Å; M246-A250 PolarHBondContact O-N 2.89Å; M246-A250 VanDerWaalsContact O-N 3.13Å
247S61.1Low67.6Low75 Ų7594 Ų9452%0.52452%0.517SS..Hα-helixtrans-66.7-42.2179177.10000112.2S244 N249 A250 A251S244-S247 PolarHBondContact O-N 3.17Å; S244-S247 VanDerWaalsContact O-N 3.11Å; S247-N249 VanDerWaalsContact C-N 3.33Å; S247-N249 PolarHBondContact O-N 3.05Å; S247-A250 WeakPolarHBondContact O-CB 3.31Å; S247-A250 PolarHBondContact O-N 2.94Å; S247-A250 VanDerWaalsContact O-N 3.14Å; S247-A251 PolarHBondContact O-N 3.4Å
248L59.5Low66.4Low110 Ų11097.9 Ų97.958%0.57653%0.532SS*.Hα-helixtrans-63.2-39.5178.1-70.2175.4000112.4S244 A250 A251 N252S244-L248 PolarHBondContact O-N 3.48Å; L248-A250 VanDerWaalsContact C-N 3.31Å; L248-A250 PolarHBondContact O-N 3.14Å; L248-A251 PolarHBondContact O-N 2.83Å; L248-N252 PolarHBondContact O-N 3.13Å
249N60.7Low65.4Low89 Ų8991.8 Ų91.848%0.47652%0.516SS..Hα-helixtrans-67.2-34.4176-70.8-11.4000111.6K245 M246 S247 N253K245-N249 PolarHBondContact O-N 3.3Å; M246-N249 PolarHBondContact O-N 3.42Å; S247-N249 VanDerWaalsContact C-N 3.33Å; S247-N249 PolarHBondContact O-N 3.05Å; N249-N253 PolarHBondContact O-N 3.19Å; N249-N253 PolarHBondContact O-ND2 3.43Å
250A61.5Low64.5Low48 Ų4895.1 Ų95.140%0.39753%0.53SS..Hα-helixtrans-64.3-40.9177.300000112.3M246 S247 L248 N252 N253M246-A250 PolarHBondContact O-N 2.89Å; M246-A250 VanDerWaalsContact O-N 3.13Å; S247-A250 WeakPolarHBondContact O-CB 3.31Å; S247-A250 PolarHBondContact O-N 2.94Å; S247-A250 VanDerWaalsContact O-N 3.14Å; L248-A250 VanDerWaalsContact C-N 3.31Å; L248-A250 PolarHBondContact O-N 3.14Å; A250-N252 PolarHBondContact O-N 3.3Å; A250-N253 PolarHBondContact O-N 3.15Å; A250-N253 VanDerWaalsContact O-N 3.16Å
251A61.1Low63.2Low61 Ų6194.9 Ų94.950%0.50454%0.535SS..Hα-helixtrans-62.4-43.6179.200000112.6S247 L248 N253 L254S247-A251 PolarHBondContact O-N 3.4Å; L248-A251 PolarHBondContact O-N 2.83Å; A251-N253 PolarHBondContact O-N 2.97Å; A251-L254 PolarHBondContact O-N 3.1Å
252N60.1Low62.2Low127 Ų12788.9 Ų88.968%0.67952%0.522SS*.Hα-helixtrans-66-23.9177.3-66.4-20.9000112.8L248 A250 L254L248-N252 PolarHBondContact O-N 3.13Å; A250-N252 PolarHBondContact O-N 3.3Å; N252-L254 VanDerWaalsContact C-N 3.34Å
253N59.8Low61.5Low87 Ų8790.7 Ų90.747%0.46551%0.509SS..Hα-helixtrans-81-13.1-179.9-65.7-30000113.4N249 A250 A251 D255 G256N249-N253 PolarHBondContact O-N 3.19Å; N249-N253 PolarHBondContact O-ND2 3.43Å; A250-N253 PolarHBondContact O-N 3.15Å; A250-N253 VanDerWaalsContact O-N 3.16Å; A251-N253 PolarHBondContact O-N 2.97Å; N253-D255 PolarHBondContact O-N 3.42Å; N253-G256 PolarHBondContact O-N 3.1Å
254L58.8Low60.9Low55 Ų5590.6 Ų90.629%0.28851%0.507SS..Hα-helixtrans-66.7-24.6178-66.4179.8000112.5T191 M193 A251 N252 G256 V257 F258T191-L254 HydrophobicContact CG2-CD2 4.42Å; M193-L254 HydrophobicContact CE-CD1 4.4Å; M193-L254 HydrophobicContact CE-CD2 4.35Å; A251-L254 PolarHBondContact O-N 3.1Å; N252-L254 VanDerWaalsContact C-N 3.34Å; L254-G256 PolarHBondContact O-N 3.35Å; L254-V257 HydrophobicContact CD2-CG2 4.03Å; L254-V257 WeakPolarHBondContact O-CB 3.35Å; L254-V257 PolarHBondContact O-N 3.49Å; L254-F258 WeakPolarHBondContact O-CD2 3.44Å
255D65.2Low60.5Low144 Ų14490.3 Ų90.377%0.7751%0.507SS*.Hα-helixtrans-59.3-36.4177.9-161.939.1000111.6N253N253-D255 PolarHBondContact O-N 3.42Å
256G61.3Low60.2Low46 Ų4686.6 Ų86.647%0.47450%0.499SS..Hα-helixtrans-81.9-17.417500000114.9N253 L254 F258 D259N253-G256 PolarHBondContact O-N 3.1Å; L254-G256 PolarHBondContact O-N 3.35Å; G256-F258 VanDerWaalsContact C-N 3.27Å; G256-F258 PolarHBondContact O-N 2.79Å; G256-D259 PolarHBondContact O-N 2.77Å
257V61.4Low60Low36 Ų3684.4 Ų84.422%0.21850%0.497CS..Hα-helixtrans-67-34.8177.2177.30000110.3I188 L254I188-V257 HydrophobicContact CB-CG2 4.48Å; I188-V257 HydrophobicContact CG1-CG2 3.99Å; I188-V257 HydrophobicContact CG2-CG1 4.03Å; I188-V257 HydrophobicContact CG2-CG2 4.08Å; L254-V257 HydrophobicContact CD2-CG2 4.03Å; L254-V257 WeakPolarHBondContact O-CB 3.35Å; L254-V257 PolarHBondContact O-N 3.49Å
258F63.1Low59.6Low146 Ų14683.9 Ų83.964%0.6449%0.493SS*.SBendtrans-89.4-2.9-179.8-63.6-69.8000114.1M193 L254 G256 F260M193-F258 HydrophobicContact CE-CZ 4.31Å; L254-F258 WeakPolarHBondContact O-CD2 3.44Å; G256-F258 VanDerWaalsContact C-N 3.27Å; G256-F258 PolarHBondContact O-N 2.79Å; F258-F260 PolarHBondContact O-N 2.82Å
259D65.6Low59.1Low103 Ų10381.6 Ų81.655%0.55150%0.497SS*.  trans-75.369.3169.9-167.99.7000111G256 A261G256-D259 PolarHBondContact O-N 2.77Å; D259-A261 PolarHBondContact O-N 2.89Å; D259-A261 VanDerWaalsContact O-N 3.15Å
260F59.5Low58.2Low129 Ų12983 Ų8357%0.56650%0.503SS*.Hα-helixtrans-62.2-21.3-175.3-137.8-103000112.6F258 Y263 F264F258-F260 PolarHBondContact O-N 2.82Å; F260-Y263 PolarHBondContact O-N 2.92Å; F260-F264 AromaticContact CD1-CD2 3.44Å; F260-F264 HydrophobicContact CD1-CD2 3.44Å; F260-F264 VanDerWaalsContact CD1-CD2 3.44Å; F260-F264 AromaticContact CD1-CE2 3.84Å; F260-F264 HydrophobicContact CD1-CE2 3.84Å; F260-F264 HydrophobicContact CD1-CG 4.47Å; F260-F264 AromaticContact CE1-CD2 3.17Å; F260-F264 HydrophobicContact CE1-CD2 3.17Å; F260-F264 AromaticContact CE1-CE2 3.06Å; F260-F264 HydrophobicContact CE1-CE2 3.06Å; F260-F264 HydrophobicContact CE1-CG 4.29Å; F260-F264 HydrophobicContact CE1-CZ 4.1Å; F260-F264 HydrophobicContact CE2-CE2 4.25Å; F260-F264 HydrophobicContact CG-CD2 4.33Å; F260-F264 AromaticContact CZ-CD2 3.86Å; F260-F264 HydrophobicContact CZ-CD2 3.86Å; F260-F264 AromaticContact CZ-CE2 3.32Å; F260-F264 HydrophobicContact CZ-CE2 3.32Å; F260-F264 HydrophobicContact CZ-CZ 4.31Å; F260-F264 PolarHBondContact O-N 3.19Å
261A56.4Low57.5Low74 Ų7492 Ų9261%0.61253%0.527SS*.Hα-helixtrans-67.8-42.4-17500000112.2D259 A265D259-A261 PolarHBondContact O-N 2.89Å; D259-A261 VanDerWaalsContact O-N 3.15Å; A261-A265 WeakPolarHBondContact O-CB 3.46Å; A261-A265 PolarHBondContact O-N 3.23Å
262G57.4Low56.8Low45 Ų4593.9 Ų93.946%0.46453%0.532SS..Hα-helixtrans-72.3-35.4175.300000113
263Y60.6Low56.2Low104 Ų10492.3 Ų92.341%0.40853%0.531SS..Hα-helixtrans-65.2-51.2-176.1-177.7-103.5000112.6F260 S266F260-Y263 PolarHBondContact O-N 2.92Å; Y263-S266 PolarHBondContact O-OG 2.94Å
264F58.3Low55.4Low105 Ų10595.9 Ų95.946%0.46155%0.545SS..Hα-helixtrans-81.4-25.3-179.5-90.9-86.6000114.5F260 S266 S267 S268F260-F264 AromaticContact CD1-CD2 3.44Å; F260-F264 HydrophobicContact CD1-CD2 3.44Å; F260-F264 VanDerWaalsContact CD1-CD2 3.44Å; F260-F264 AromaticContact CD1-CE2 3.84Å; F260-F264 HydrophobicContact CD1-CE2 3.84Å; F260-F264 HydrophobicContact CD1-CG 4.47Å; F260-F264 AromaticContact CE1-CD2 3.17Å; F260-F264 HydrophobicContact CE1-CD2 3.17Å; F260-F264 AromaticContact CE1-CE2 3.06Å; F260-F264 HydrophobicContact CE1-CE2 3.06Å; F260-F264 HydrophobicContact CE1-CG 4.29Å; F260-F264 HydrophobicContact CE1-CZ 4.1Å; F260-F264 HydrophobicContact CE2-CE2 4.25Å; F260-F264 HydrophobicContact CG-CD2 4.33Å; F260-F264 AromaticContact CZ-CD2 3.86Å; F260-F264 HydrophobicContact CZ-CD2 3.86Å; F260-F264 AromaticContact CZ-CE2 3.32Å; F260-F264 HydrophobicContact CZ-CE2 3.32Å; F260-F264 HydrophobicContact CZ-CZ 4.31Å; F260-F264 PolarHBondContact O-N 3.19Å; F264-S266 VanDerWaalsContact C-N 3.25Å; F264-S266 PolarHBondContact O-N 2.97Å; F264-S267 PolarHBondContact O-OG 3.13Å; F264-S268 PolarHBondContact O-N 3.32Å; F264-S268 PolarHBondContact O-OG 3.39Å
265A57.2Low54.6Low36 Ų36100.3 Ų100.330%0.29857%0.568SS.*Hα-helixtrans-66.1-30177.900000112.2A261A261-A265 WeakPolarHBondContact O-CB 3.46Å; A261-A265 PolarHBondContact O-N 3.23Å
266S54.9Low53.4Low64 Ų64101.9 Ų101.945%0.44857%0.57SS.*Hα-helixtrans-80.9-35.1179.471.50000113.9Y263 F264Y263-S266 PolarHBondContact O-OG 2.94Å; F264-S266 VanDerWaalsContact C-N 3.25Å; F264-S266 PolarHBondContact O-N 2.97Å
267S55.4Low52.3Low88 Ų88108.4 Ų108.462%0.61559%0.588SS**Hα-helixtrans-75-28.2-179.861.80000113F264 G269F264-S267 PolarHBondContact O-OG 3.13Å; S267-G269 VanDerWaalsContact C-N 3.31Å; S267-G269 PolarHBondContact O-N 2.87Å
268S53.3Low51.8Low65 Ų65116.5 Ų116.546%0.45564%0.638SS.*THydrogen-bonded Turntrans-84.60.7-18053.70000114.1F264 L270F264-S268 PolarHBondContact O-N 3.32Å; F264-S268 PolarHBondContact O-OG 3.39Å; S268-L270 PolarHBondContact O-N 2.88Å
269G49.8Very low51.3Low62 Ų62115 Ų11564%0.63964%0.638SS**  trans63.93.2179.400000114.7S267 R271S267-G269 VanDerWaalsContact C-N 3.31Å; S267-G269 PolarHBondContact O-N 2.87Å; G269-R271 PolarHBondContact O-N 2.81Å
270L42.2Very low50.5Low118 Ų118115.6 Ų115.662%0.61864%0.642SS**  trans-78.489178.7-79.3155.3000108.9S268 V272S268-L270 PolarHBondContact O-N 2.88Å; L270-V272 PolarHBondContact O-N 2.73Å
271R46.1Very low50Low237 Ų237114.9 Ų114.989%0.89465%0.647SS**  trans-57.1103.9172.2-68.5-177.1-176.5175.13.2109.3G269 S273G269-R271 PolarHBondContact O-N 2.81Å; R271-S273 VanDerWaalsContact C-N 3.26Å; R271-S273 PolarHBondContact O-N 3.08Å
272V47Very low49.7Very low100 Ų100117.3 Ų117.361%0.60665%0.649SS**  trans-72.489.7166.1-177.50000107.1L270 H274L270-V272 PolarHBondContact O-N 2.73Å; V272-H274 PolarHBondContact O-N 2.98Å; V272-H274 PolarHBondContact O-ND1 2.99Å
273S45.7Very low49.2Very low95 Ų95121.8 Ų121.866%0.66466%0.66SS**  trans-54.5109.6171.941.20000109.2R271 L275R271-S273 VanDerWaalsContact C-N 3.26Å; R271-S273 PolarHBondContact O-N 3.08Å; S273-L275 VanDerWaalsContact C-N 3.31Å; S273-L275 PolarHBondContact O-N 3.27Å
274H44.8Very low48.4Very low162 Ų162123 Ų12375%0.7568%0.677SS**  trans-69.395.7165.7-8335.5000107.2V272 H276V272-H274 PolarHBondContact O-N 2.98Å; V272-H274 PolarHBondContact O-ND1 2.99Å; H274-H276 PolarHBondContact O-N 3.08Å
275L41.1Very low47.7Very low148 Ų148124.3 Ų124.378%0.77569%0.692SS**  trans-57.9106.6163-114.491.9000107S273 Q277S273-L275 VanDerWaalsContact C-N 3.31Å; S273-L275 PolarHBondContact O-N 3.27Å; L275-Q277 PolarHBondContact O-N 3.09Å; L275-Q277 VanDerWaalsContact O-N 3.12Å
276H39.4Very low47Very low177 Ų177131.1 Ų131.182%0.81972%0.723SS**  trans-61.4109.6160.4-90.464.3000106.9H274 T278H274-H276 PolarHBondContact O-N 3.08Å; H276-T278 PolarHBondContact O-N 3.27Å
277Q39.3Very low46.3Very low183 Ų183136.7 Ų136.786%0.85575%0.746SS**  trans-78.4105.5162.4-83.4177.9-9.600107.1L275L275-Q277 PolarHBondContact O-N 3.09Å; L275-Q277 VanDerWaalsContact O-N 3.12Å
278T51.4Low45.5Very low205 Ų205141.1 Ų141.1100%1.25876%0.758SS**  trans-72.30149.551.10000109.5H276H276-T278 PolarHBondContact O-N 3.27Å

Retrieved 278 of 278 residues in 218 ms (Link to these results)